(2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide

C27H33N3O5 — CID 143479220

IUPAC(2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
SMILESC=C/C=C1/CN(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@@H](C)c2ccc(-c3c(C)noc3C)cc2)CC/C1=C/C
InChIInChI=1S/C27H33N3O5/c1-6-8-22-15-30(14-13-19(22)7-2)27(34)25(32)24(31)26(33)28-16(3)20-9-11-21(12-10-20)23-17(4)29-35-18(23)5/h6-12,16,24-25,31-32H,1,13-15H2,2-5H3,(H,28,33)/b19-7-,22-8-/t16-,24+,25+/m0/s1
InChIKeyKNZSBHZXMIVUTE-YPBJWQGWSA-N
MW479.58 g/mol
LogP3.15
Rot. Bonds7

About (2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide

(2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide (PubChem CID 143479220) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is (2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
PubChem CID143479220
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC Name(2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
SMILESC=C/C=C1/CN(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@@H](C)c2ccc(-c3c(C)noc3C)cc2)CC/C1=C/C
InChIInChI=1S/C27H33N3O5/c1-6-8-22-15-30(14-13-19(22)7-2)27(34)25(32)24(31)26(33)28-16(3)20-9-11-21(12-10-20)23-17(4)29-35-18(23)5/h6-12,16,24-25,31-32H,1,13-15H2,2-5H3,(H,28,33)/b19-7-,22-8-/t16-,24+,25+/m0/s1
InChIKeyKNZSBHZXMIVUTE-YPBJWQGWSA-N
XLogP3.15
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide with MolForge

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-[1-[4-(4-hydroxyphenyl)phenyl]ethyl]-4-oxobutanamide
CID 23584992
(2R,3R)-N-[(1S)-1-(4-butylphenyl)ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-[1-(4-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(4-phenoxyphenyl)methyl]butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-(4-phenylphenyl)ethyl]butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide
CID 160809897
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
3,5-dimethyl-4-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-1,2-oxazole
CID 11702970
[1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid
CID 154944157
(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine
CID 143479412
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane
CID 143479213
(2R,3R)-2,3-dihydroxy-4-[2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 59365210
4-(1,3,4,4a,5,5a,9a,9b-octahydroindeno[1,2-c]pyridin-2-yl)-N-[1-(4-bromophenyl)ethyl]-2,3-dihydroxy-4-oxobutanamide
CID 71178623
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
The IUPAC name of (2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide (CID 143479220) is (2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
The canonical SMILES for (2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide is C=C/C=C1/CN(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@@H](C)c2ccc(-c3c(C)noc3C)cc2)CC/C1=C/C.
What is the InChIKey of (2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
The InChIKey is KNZSBHZXMIVUTE-YPBJWQGWSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-6-8-22-15-30(14-13-19(22)7-2)27(34)25(32)24(31)26(33)28-16(3)20-9-11-21(12-10-20)23-17(4)29-35-18(23)5/h6-12,16,24-25,31-32H,1,13-15H2,2-5H3,(H,28,33)/b19-7-,22-8-/t16-,24+,25+/m0/s1.
What are the key properties of (2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
(2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide has a molecular weight of 479.58 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1S)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-[(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-yl]-2,3-dihydroxy-4-oxobutanamide is sourced from PubChem (CID 143479220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).