2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide

C17H22N4O3 — CID 3836314

IUPAC2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)C(N)c1nc(C(=O)NC(Cc2ccccc2)C(N)=O)co1
InChIInChI=1S/C17H22N4O3/c1-10(2)14(18)17-21-13(9-24-17)16(23)20-12(15(19)22)8-11-6-4-3-5-7-11/h3-7,9-10,12,14H,8,18H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeySQRFNBQEURZPMR-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.16
Rot. Bonds7

About 2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide

2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 3836314) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID3836314
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)C(N)c1nc(C(=O)NC(Cc2ccccc2)C(N)=O)co1
InChIInChI=1S/C17H22N4O3/c1-10(2)14(18)17-21-13(9-24-17)16(23)20-12(15(19)22)8-11-6-4-3-5-7-11/h3-7,9-10,12,14H,8,18H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeySQRFNBQEURZPMR-UHFFFAOYSA-N
XLogP1.16
TPSA124.24 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 ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3541503
benzyl 2-[[2-(1-amino-2-hydroxyethyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3596071
benzyl 2-[[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798181
benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3850448
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131889440
benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 5103806
methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate
CID 5158045
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3857442

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide (CID 3836314) is 2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide is CC(C)C(N)c1nc(C(=O)NC(Cc2ccccc2)C(N)=O)co1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is SQRFNBQEURZPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)14(18)17-21-13(9-24-17)16(23)20-12(15(19)22)8-11-6-4-3-5-7-11/h3-7,9-10,12,14H,8,18H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3836314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).