N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide

C14H16N2O3 — CID 110685074

IUPACN-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2ocnc2C(C)C)c1
InChIInChI=1S/C14H16N2O3/c1-9(2)12-13(19-8-15-12)14(17)16-10-5-4-6-11(7-10)18-3/h4-9H,1-3H3,(H,16,17)
InChIKeyKIYGCWURVKENJO-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.06
Rot. Bonds4

About N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide

N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 110685074) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID110685074
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2ocnc2C(C)C)c1
InChIInChI=1S/C14H16N2O3/c1-9(2)12-13(19-8-15-12)14(17)16-10-5-4-6-11(7-10)18-3/h4-9H,1-3H3,(H,16,17)
InChIKeyKIYGCWURVKENJO-UHFFFAOYSA-N
XLogP3.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
CID 79489953
N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765121
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
5-(furan-2-yl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 71690130
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
1-(furan-2-yl)-3-(3-methoxyphenyl)urea
CID 108868447
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181325
N-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 110693653
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide (CID 110685074) is N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide is COc1cccc(NC(=O)c2ocnc2C(C)C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is KIYGCWURVKENJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)12-13(19-8-15-12)14(17)16-10-5-4-6-11(7-10)18-3/h4-9H,1-3H3,(H,16,17).
What are the key properties of N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide?
N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110685074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).