2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid

C17H15N3O4S — CID 44571128

IUPAC2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1nccs1
InChIInChI=1S/C17H15N3O4S/c1-11-15(19-16(24-11)12-5-3-2-4-6-12)17(23)20(10-14(21)22)9-13-18-7-8-25-13/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeyLCNYRHFHVDPCHQ-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.83
Rot. Bonds6

About 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid

2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid (PubChem CID 44571128) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
PubChem CID44571128
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1nccs1
InChIInChI=1S/C17H15N3O4S/c1-11-15(19-16(24-11)12-5-3-2-4-6-12)17(23)20(10-14(21)22)9-13-18-7-8-25-13/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeyLCNYRHFHVDPCHQ-UHFFFAOYSA-N
XLogP2.83
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 2497379
2-(2,4-Difluorophenyl)-5-methyl-4-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}-1,3-oxazole
CID 16191257
4-[[5-[4-[[2-Phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]-1,3-thiazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 90654929
2-[2-[(1S)-1-[(2-methoxybenzoyl)amino]-2-methylpropyl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 11546143
2-[(5-Methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805232
methyl 2-[2-[(1S)-1-[(2-methoxybenzoyl)amino]-2-methylpropyl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazole-4-carboxylate
CID 44405479
(4Z)-2-phenyl-4-[(1,3-thiazol-2-ylamino)methylidene]-1,3-oxazol-5-one
CID 135432812
2-(2-Ethoxyphenyl)-5-methyl-4-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}-1,3-oxazole
CID 16191914
2-[(5-Methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-3-ylmethyl)amino]acetic acid
CID 44571083
2-[(5-Methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid
CID 44571084
N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 46878625
2-Phenyl-4-(1,3-thiazol-2-yliminomethyl)-1,3-oxazol-5-ol
CID 949785

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid (CID 44571128) is 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid is Cc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1nccs1.
What is the InChIKey of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid?
The InChIKey is LCNYRHFHVDPCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-11-15(19-16(24-11)12-5-3-2-4-6-12)17(23)20(10-14(21)22)9-13-18-7-8-25-13/h2-8H,9-10H2,1H3,(H,21,22).
What are the key properties of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid?
2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid has a molecular weight of 357.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 44571128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).