3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid

C18H20N2O4 — CID 120535407

IUPAC3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N(CC(C)C(=O)O)C1CC1
InChIInChI=1S/C18H20N2O4/c1-11(18(22)23)10-20(14-8-9-14)17(21)15-12(2)19-16(24-15)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,22,23)
InChIKeyXMLGRXAOIDKZCC-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.98
Rot. Bonds6

About 3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid

3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 120535407) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
PubChem CID120535407
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N(CC(C)C(=O)O)C1CC1
InChIInChI=1S/C18H20N2O4/c1-11(18(22)23)10-20(14-8-9-14)17(21)15-12(2)19-16(24-15)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,22,23)
InChIKeyXMLGRXAOIDKZCC-UHFFFAOYSA-N
XLogP2.98
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-ethoxypropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120520336
3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516514
3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
CID 120535420
(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
CID 95539585
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
(2S)-3-[(5-bromofuran-2-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 99851755
3-[cyclopropyl-(2-methylsulfanylbenzoyl)amino]-2-methylpropanoic acid
CID 120977103
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
3-[cyclopropyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 120535256
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid (CID 120535407) is 3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid is Cc1nc(-c2ccccc2)oc1C(=O)N(CC(C)C(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is XMLGRXAOIDKZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11(18(22)23)10-20(14-8-9-14)17(21)15-12(2)19-16(24-15)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,22,23).
What are the key properties of 3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid?
3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 120535407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).