methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate

C15H16N2O4 — CID 110685093

IUPACmethyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ocnc1C(C)C
InChIInChI=1S/C15H16N2O4/c1-9(2)12-13(21-8-16-12)14(18)17-11-7-5-4-6-10(11)15(19)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyZXZKEOPXOQZPSK-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.84
Rot. Bonds4

About methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate

methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate (PubChem CID 110685093) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate
PubChem CID110685093
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ocnc1C(C)C
InChIInChI=1S/C15H16N2O4/c1-9(2)12-13(21-8-16-12)14(18)17-11-7-5-4-6-10(11)15(19)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyZXZKEOPXOQZPSK-UHFFFAOYSA-N
XLogP2.84
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110685074
methyl 2-[[2-(propan-2-ylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247207
methyl 2-[[4-(1-bromoethyl)benzoyl]amino]benzoate
CID 21244031
methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 79479514
methyl 2-[[2-(2-bromopropanoylamino)benzoyl]amino]benzoate
CID 11761289
methyl 2-[(4,6-dimethylpyrimidine-5-carbonyl)amino]benzoate
CID 110861617
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
CID 129389746

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate (CID 110685093) is methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ocnc1C(C)C.
What is the InChIKey of methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate?
The InChIKey is ZXZKEOPXOQZPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(2)12-13(21-8-16-12)14(18)17-11-7-5-4-6-10(11)15(19)20-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate?
methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate has a molecular weight of 288.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 110685093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).