(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C15H18ClN3O2 — CID 30720301

IUPAC(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H18ClN3O2/c1-9-8-14(21-19-9)18-15(20)11(3)17-10(2)12-4-6-13(16)7-5-12/h4-8,10-11,17H,1-3H3,(H,18,20)/t10-,11+/m0/s1
InChIKeyHJQHZBFDYGZXHI-WDEREUQCSA-N
MW307.78 g/mol
LogP3.31
Rot. Bonds5

About (2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 30720301) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID30720301
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H18ClN3O2/c1-9-8-14(21-19-9)18-15(20)11(3)17-10(2)12-4-6-13(16)7-5-12/h4-8,10-11,17H,1-3H3,(H,18,20)/t10-,11+/m0/s1
InChIKeyHJQHZBFDYGZXHI-WDEREUQCSA-N
XLogP3.31
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720215
2-[1-(2-fluorophenyl)ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42896225
(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 124614367
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
(2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94180754
(2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 52526891
(2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 52510327
methyl (3S)-3-(4-chlorophenyl)-3-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]propanoate
CID 95299978
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46582904
2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47016419
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 30720301) is (2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)on1.
What is the InChIKey of (2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is HJQHZBFDYGZXHI-WDEREUQCSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9-8-14(21-19-9)18-15(20)11(3)17-10(2)12-4-6-13(16)7-5-12/h4-8,10-11,17H,1-3H3,(H,18,20)/t10-,11+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 307.78 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 30720301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).