2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid

C18H20N2O5 — CID 120547720

IUPAC2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCc1ccc(-c2cc(C(=O)NC(C(=O)O)C3CCCOC3)on2)cc1
InChIInChI=1S/C18H20N2O5/c1-11-4-6-12(7-5-11)14-9-15(25-20-14)17(21)19-16(18(22)23)13-3-2-8-24-10-13/h4-7,9,13,16H,2-3,8,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyMDMIEZVRLFZUSS-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.26
Rot. Bonds5

About 2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid

2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547720) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547720
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCc1ccc(-c2cc(C(=O)NC(C(=O)O)C3CCCOC3)on2)cc1
InChIInChI=1S/C18H20N2O5/c1-11-4-6-12(7-5-11)14-9-15(25-20-14)17(21)19-16(18(22)23)13-3-2-8-24-10-13/h4-7,9,13,16H,2-3,8,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyMDMIEZVRLFZUSS-UHFFFAOYSA-N
XLogP2.26
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55668381
2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601
2-[5-(4-methylphenyl)pentanoylamino]-2-(oxan-3-yl)acetic acid
CID 120548583
2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120690229
2-(oxan-3-yl)-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 120548551
2-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547588
2-(oxan-3-yl)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 120548981
2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547937
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
2-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548037

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid (CID 120547720) is 2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid is Cc1ccc(-c2cc(C(=O)NC(C(=O)O)C3CCCOC3)on2)cc1.
What is the InChIKey of 2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is MDMIEZVRLFZUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-4-6-12(7-5-11)14-9-15(25-20-14)17(21)19-16(18(22)23)13-3-2-8-24-10-13/h4-7,9,13,16H,2-3,8,10H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 344.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).