N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C19H22N2O3 — CID 136527258

IUPACN-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1ccccc1OCC1CC1)c1noc2c1CCCC2
InChIInChI=1S/C19H22N2O3/c22-19(18-15-6-2-4-8-17(15)24-21-18)20-11-14-5-1-3-7-16(14)23-12-13-9-10-13/h1,3,5,7,13H,2,4,6,8-12H2,(H,20,22)
InChIKeySNYNXXFGJLBISL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.27
Rot. Bonds6

About N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 136527258) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID136527258
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1ccccc1OCC1CC1)c1noc2c1CCCC2
InChIInChI=1S/C19H22N2O3/c22-19(18-15-6-2-4-8-17(15)24-21-18)20-11-14-5-1-3-7-16(14)23-12-13-9-10-13/h1,3,5,7,13H,2,4,6,8-12H2,(H,20,22)
InChIKeySNYNXXFGJLBISL-UHFFFAOYSA-N
XLogP3.27
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254494
5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119137622
(5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056659
N-[(2-pyridin-3-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 121177590
2-amino-N-[[2-(cyclopropylmethoxy)phenyl]methyl]acetamide
CID 119325506
N-(cyclopropylmethyl)-5-[(2-methylphenyl)methylamino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155875836
N-(2-ethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 4053928
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119786909
N-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 17254355
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 91814118
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3245435
2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 43035749

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 136527258) is N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NCc1ccccc1OCC1CC1)c1noc2c1CCCC2.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is SNYNXXFGJLBISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(18-15-6-2-4-8-17(15)24-21-18)20-11-14-5-1-3-7-16(14)23-12-13-9-10-13/h1,3,5,7,13H,2,4,6,8-12H2,(H,20,22).
What are the key properties of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 136527258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).