N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide

C16H14N2O3 — CID 110711644

IUPACN-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3o2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-12-8-6-11(7-9-12)16(19)17-10-15-18-13-4-2-3-5-14(13)21-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZWCXQRYDLDSCHN-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.77
Rot. Bonds4

About N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide

N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide (PubChem CID 110711644) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
PubChem CID110711644
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3o2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-12-8-6-11(7-9-12)16(19)17-10-15-18-13-4-2-3-5-14(13)21-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZWCXQRYDLDSCHN-UHFFFAOYSA-N
XLogP2.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 70717506
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 110741805
5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 46949508
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110711801
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91794515
N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
CID 110711685
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide
CID 9049434
methyl N-(1,3-benzoxazol-2-ylmethyl)carbamodithioate
CID 71371041

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide (CID 110711644) is N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCc2nc3ccccc3o2)cc1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide?
The InChIKey is ZWCXQRYDLDSCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-12-8-6-11(7-9-12)16(19)17-10-15-18-13-4-2-3-5-14(13)21-15/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide?
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide has a molecular weight of 282.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide is sourced from PubChem (CID 110711644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).