3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid

C16H18N2O4 — CID 119207123

IUPAC3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C16H18N2O4/c1-11(2)18(9-8-14(19)20)16(21)13-10-22-15(17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyOHANBYJWRPXINK-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.67
Rot. Bonds6

About 3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid

3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 119207123) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid
PubChem CID119207123
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C16H18N2O4/c1-11(2)18(9-8-14(19)20)16(21)13-10-22-15(17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyOHANBYJWRPXINK-UHFFFAOYSA-N
XLogP2.67
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119661310
N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120651572
2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 50755040
3-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207587
3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 84558170
3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207394
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509
N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 111437218
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetic acid
CID 119198322
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 50755014
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
3-[(2-methylpyrazole-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 54926839

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid (CID 119207123) is 3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)c1coc(-c2ccccc2)n1.
What is the InChIKey of 3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid?
The InChIKey is OHANBYJWRPXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11(2)18(9-8-14(19)20)16(21)13-10-22-15(17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid?
3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 119207123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).