(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C17H22N4O3 — CID 32510370

IUPAC(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](NCc1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H22N4O3/c1-4-15(17(23)20-16-9-11(2)24-21-16)18-10-13-5-7-14(8-6-13)19-12(3)22/h5-9,15,18H,4,10H2,1-3H3,(H,19,22)(H,20,21,23)/t15-/m1/s1
InChIKeyKZILCERIOSTMIA-OAHLLOKOSA-N
MW330.39 g/mol
LogP2.45
Rot. Bonds7

About (2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 32510370) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID32510370
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](NCc1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H22N4O3/c1-4-15(17(23)20-16-9-11(2)24-21-16)18-10-13-5-7-14(8-6-13)19-12(3)22/h5-9,15,18H,4,10H2,1-3H3,(H,19,22)(H,20,21,23)/t15-/m1/s1
InChIKeyKZILCERIOSTMIA-OAHLLOKOSA-N
XLogP2.45
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide
CID 35789320
(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35623653
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide
CID 47018451
N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide
CID 30756453
2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 6487759
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 26012027
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483020
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 106910403
2-(4-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17488545
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 32510370) is (2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@@H](NCc1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is KZILCERIOSTMIA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-15(17(23)20-16-9-11(2)24-21-16)18-10-13-5-7-14(8-6-13)19-12(3)22/h5-9,15,18H,4,10H2,1-3H3,(H,19,22)(H,20,21,23)/t15-/m1/s1.
What are the key properties of (2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 330.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 32510370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).