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

C16H20N2O3 — CID 29217403

IUPACN-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(C)noc2C(C)C)c1
InChIInChI=1S/C16H20N2O3/c1-10(2)15-14(11(3)18-21-15)16(19)17-9-12-6-5-7-13(8-12)20-4/h5-8,10H,9H2,1-4H3,(H,17,19)
InChIKeyQDYJOGMNYOYJKZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.05
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 29217403) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID29217403
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(C)noc2C(C)C)c1
InChIInChI=1S/C16H20N2O3/c1-10(2)15-14(11(3)18-21-15)16(19)17-9-12-6-5-7-13(8-12)20-4/h5-8,10H,9H2,1-4H3,(H,17,19)
InChIKeyQDYJOGMNYOYJKZ-UHFFFAOYSA-N
XLogP3.05
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55800853
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9269043
3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 167932442
3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 32564082
5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46096877
N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 37485588
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46470743
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 52793571
[2-(3-methoxyanilino)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507025
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314890

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 29217403) is N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is COc1cccc(CNC(=O)c2c(C)noc2C(C)C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is QDYJOGMNYOYJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)15-14(11(3)18-21-15)16(19)17-9-12-6-5-7-13(8-12)20-4/h5-8,10H,9H2,1-4H3,(H,17,19).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 29217403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).