(2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide

C18H23N3O3 — CID 51645784

IUPAC(2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CCc1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H23N3O3/c1-4-19-18(23)13(3)21-16(22)9-10-17-20-11-15(24-17)14-7-5-12(2)6-8-14/h5-8,11,13H,4,9-10H2,1-3H3,(H,19,23)(H,21,22)/t13-/m0/s1
InChIKeyUBLWBIVFBHSUNO-ZDUSSCGKSA-N
MW329.40 g/mol
LogP2.22
Rot. Bonds7

About (2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide

(2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide (PubChem CID 51645784) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide
PubChem CID51645784
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CCc1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H23N3O3/c1-4-19-18(23)13(3)21-16(22)9-10-17-20-11-15(24-17)14-7-5-12(2)6-8-14/h5-8,11,13H,4,9-10H2,1-3H3,(H,19,23)(H,21,22)/t13-/m0/s1
InChIKeyUBLWBIVFBHSUNO-ZDUSSCGKSA-N
XLogP2.22
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 78856641
(2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119364024
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
N-[(1S)-1-(furan-2-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51908866
N-[(4-methylphenyl)-phenylmethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599378
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51316585
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60555563
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51100367
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
CID 95787866

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide (CID 51645784) is (2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide is CCNC(=O)[C@H](C)NC(=O)CCc1ncc(-c2ccc(C)cc2)o1.
What is the InChIKey of (2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide?
The InChIKey is UBLWBIVFBHSUNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-19-18(23)13(3)21-16(22)9-10-17-20-11-15(24-17)14-7-5-12(2)6-8-14/h5-8,11,13H,4,9-10H2,1-3H3,(H,19,23)(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide?
(2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide is sourced from PubChem (CID 51645784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).