2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide

C21H16N2O3 — CID 38902837

IUPAC2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCc1nc2ccccc2o1
InChIInChI=1S/C21H16N2O3/c24-21(22-15-8-2-1-3-9-15)16-10-4-6-12-18(16)25-14-20-23-17-11-5-7-13-19(17)26-20/h1-13H,14H2,(H,22,24)
InChIKeyMWYYJPXVRLJYKC-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.66
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide

2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide (PubChem CID 38902837) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide
PubChem CID38902837
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCc1nc2ccccc2o1
InChIInChI=1S/C21H16N2O3/c24-21(22-15-8-2-1-3-9-15)16-10-4-6-12-18(16)25-14-20-23-17-11-5-7-13-19(17)26-20/h1-13H,14H2,(H,22,24)
InChIKeyMWYYJPXVRLJYKC-UHFFFAOYSA-N
XLogP4.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid
CID 43214774
1,3-benzoxazol-2-ylmethyl 2-(2-phenoxyethoxy)benzoate
CID 9405475
N-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 18099530
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide
CID 27876772
2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methoxy]-N-phenylbenzamide
CID 16521546
1-[4-(1,3-benzoxazol-2-ylmethoxy)phenyl]-3-(3,4-dichlorophenyl)urea
CID 134466042
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
4-(1,3-benzoxazol-2-ylmethoxy)-2-methylbenzoic acid
CID 107671276
1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate
CID 18192162
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate
CID 40734432

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide (CID 38902837) is 2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1OCc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide?
The InChIKey is MWYYJPXVRLJYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-21(22-15-8-2-1-3-9-15)16-10-4-6-12-18(16)25-14-20-23-17-11-5-7-13-19(17)26-20/h1-13H,14H2,(H,22,24).
What are the key properties of 2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide?
2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide has a molecular weight of 344.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide is sourced from PubChem (CID 38902837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).