N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide

C13H14N2O3 — CID 154511562

IUPACN-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnoc2)cc1
InChIInChI=1S/C13H14N2O3/c1-17-12-4-2-10(3-5-12)6-7-14-13(16)11-8-15-18-9-11/h2-5,8-9H,6-7H2,1H3,(H,14,16)
InChIKeyRCAUQMGETKJTTG-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.66
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 154511562) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID154511562
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnoc2)cc1
InChIInChI=1S/C13H14N2O3/c1-17-12-4-2-10(3-5-12)6-7-14-13(16)11-8-15-18-9-11/h2-5,8-9H,6-7H2,1H3,(H,14,16)
InChIKeyRCAUQMGETKJTTG-UHFFFAOYSA-N
XLogP1.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 110853437
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605
2-(2-methoxyethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109251519
6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62237050
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-[2-(4-methoxyphenyl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570795
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide (CID 154511562) is N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide is COc1ccc(CCNC(=O)c2cnoc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is RCAUQMGETKJTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-12-4-2-10(3-5-12)6-7-14-13(16)11-8-15-18-9-11/h2-5,8-9H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 154511562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).