2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid

C17H22N2O5 — CID 4974682

IUPAC2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid
SMILESCOc1ccc(C2=NOC(CC(=O)O)(C(=O)NC(C)(C)C)C2)cc1
InChIInChI=1S/C17H22N2O5/c1-16(2,3)18-15(22)17(10-14(20)21)9-13(19-24-17)11-5-7-12(23-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,18,22)(H,20,21)
InChIKeyCKPATSTZSCHMPU-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.95
Rot. Bonds5

About 2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid

2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid (PubChem CID 4974682) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid
PubChem CID4974682
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid
SMILESCOc1ccc(C2=NOC(CC(=O)O)(C(=O)NC(C)(C)C)C2)cc1
InChIInChI=1S/C17H22N2O5/c1-16(2,3)18-15(22)17(10-14(20)21)9-13(19-24-17)11-5-7-12(23-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,18,22)(H,20,21)
InChIKeyCKPATSTZSCHMPU-UHFFFAOYSA-N
XLogP1.95
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(tert-butylcarbamoyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 4892884
2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 4895396
2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 7693810
2-[(5R)-3-(4-bromophenyl)-5-[(2-methoxy-5-nitrophenyl)carbamoyl]-4H-1,2-oxazol-5-yl]acetic acid
CID 26885735
1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 59652493
2-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-(4-methylphenyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 78525619
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1364720
3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2881249
2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 4898736
methyl 5-(aminomethyl)-3-(4-nitrophenyl)-4H-1,2-oxazole-5-carboxylate
CID 82371696
(5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid
CID 10992436
3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]phenyl]-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4H-1,2-oxazole-5-carboxylic acid
CID 137245197

Frequently Asked Questions

What is the IUPAC name of 2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid (CID 4974682) is 2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid is COc1ccc(C2=NOC(CC(=O)O)(C(=O)NC(C)(C)C)C2)cc1.
What is the InChIKey of 2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid?
The InChIKey is CKPATSTZSCHMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-16(2,3)18-15(22)17(10-14(20)21)9-13(19-24-17)11-5-7-12(23-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,18,22)(H,20,21).
What are the key properties of 2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid?
2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(tert-butylcarbamoyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 4974682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).