N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide

C13H17N3O4 — CID 99697784

IUPACN-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N[C@@H](C)Cc2c(C)noc2C)on1
InChIInChI=1S/C13H17N3O4/c1-7(5-10-8(2)15-19-9(10)3)14-13(17)11-6-12(18-4)16-20-11/h6-7H,5H2,1-4H3,(H,14,17)/t7-/m0/s1
InChIKeyVGZNTHKZKZLKPC-ZETCQYMHSA-N
MW279.30 g/mol
LogP1.65
Rot. Bonds5

About N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide

N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 99697784) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID99697784
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N[C@@H](C)Cc2c(C)noc2C)on1
InChIInChI=1S/C13H17N3O4/c1-7(5-10-8(2)15-19-9(10)3)14-13(17)11-6-12(18-4)16-20-11/h6-7H,5H2,1-4H3,(H,14,17)/t7-/m0/s1
InChIKeyVGZNTHKZKZLKPC-ZETCQYMHSA-N
XLogP1.65
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]furan-2-carboxylic acid
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3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide
CID 97353224
2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide
CID 71860642
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride
CID 120635010
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 119137421
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 126769962
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]urea
CID 97065871
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 120532079
(E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid
CID 120693945

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 99697784) is N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)N[C@@H](C)Cc2c(C)noc2C)on1.
What is the InChIKey of N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is VGZNTHKZKZLKPC-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-7(5-10-8(2)15-19-9(10)3)14-13(17)11-6-12(18-4)16-20-11/h6-7H,5H2,1-4H3,(H,14,17)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 99697784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).