3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H20N2O3 — CID 3238762

IUPAC3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCC(C)C)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)9-16-15(18)14-8-13(17-20-14)11-4-6-12(19-3)7-5-11/h4-7,10,14H,8-9H2,1-3H3,(H,16,18)
InChIKeyXUOQMYKPYFAIIW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3238762) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3238762
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCC(C)C)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)9-16-15(18)14-8-13(17-20-14)11-4-6-12(19-3)7-5-11/h4-7,10,14H,8-9H2,1-3H3,(H,16,18)
InChIKeyXUOQMYKPYFAIIW-UHFFFAOYSA-N
XLogP1.96
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2E)-2-hydroxyimino-3-(3-iodo-4-methoxyphenyl)-N-(2-sulfanylethyl)propanamide
CID 57326809
N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 6905797
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 16000066
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237052
N-(4-fluorobenzyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237488
N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3238182
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3239086
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3239645
N-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3245926
3-(4-methoxyphenyl)-N-(propan-2-yl)propanamide
CID 897290
(2E)-3-(4-ethoxyphenyl)-N-[2-[2-[[(2E)-3-(4-ethoxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldiselanyl]ethyl]-2-hydroxyiminopropanamide
CID 142589382
N-(4-methoxybenzyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236601

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3238762) is 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)NCC(C)C)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is XUOQMYKPYFAIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)9-16-15(18)14-8-13(17-20-14)11-4-6-12(19-3)7-5-11/h4-7,10,14H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3238762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).