(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide

C14H14N4O4 — CID 95299330

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Nc2ccc3oc(=O)[nH]c3c2)no1
InChIInChI=1S/C14H14N4O4/c1-7-5-12(18-22-7)17-13(19)8(2)15-9-3-4-11-10(6-9)16-14(20)21-11/h3-6,8,15H,1-2H3,(H,16,20)(H,17,18,19)/t8-/m1/s1
InChIKeyHAUZKXWQDLXGOJ-MRVPVSSYSA-N
MW302.29 g/mol
LogP1.86
Rot. Bonds4

About (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide (PubChem CID 95299330) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
PubChem CID95299330
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Nc2ccc3oc(=O)[nH]c3c2)no1
InChIInChI=1S/C14H14N4O4/c1-7-5-12(18-22-7)17-13(19)8(2)15-9-3-4-11-10(6-9)16-14(20)21-11/h3-6,8,15H,1-2H3,(H,16,20)(H,17,18,19)/t8-/m1/s1
InChIKeyHAUZKXWQDLXGOJ-MRVPVSSYSA-N
XLogP1.86
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide
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(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
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(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide
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(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide
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4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
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5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 103388877
N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 75980251
2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17396421
(2R)-2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide (CID 95299330) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide is Cc1cc(NC(=O)[C@@H](C)Nc2ccc3oc(=O)[nH]c3c2)no1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
The InChIKey is HAUZKXWQDLXGOJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-7-5-12(18-22-7)17-13(19)8(2)15-9-3-4-11-10(6-9)16-14(20)21-11/h3-6,8,15H,1-2H3,(H,16,20)(H,17,18,19)/t8-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide has a molecular weight of 302.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide is sourced from PubChem (CID 95299330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).