N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide

C19H18N2O3 — CID 167774645

IUPACN-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide
SMILESCc1nc2c(NC(=O)C3(c4ccccc4)CCOC3)cccc2o1
InChIInChI=1S/C19H18N2O3/c1-13-20-17-15(8-5-9-16(17)24-13)21-18(22)19(10-11-23-12-19)14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,21,22)
InChIKeyRATIJGLSSLKOOD-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.43
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide

N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide (PubChem CID 167774645) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide
PubChem CID167774645
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide
SMILESCc1nc2c(NC(=O)C3(c4ccccc4)CCOC3)cccc2o1
InChIInChI=1S/C19H18N2O3/c1-13-20-17-15(8-5-9-16(17)24-13)21-18(22)19(10-11-23-12-19)14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,21,22)
InChIKeyRATIJGLSSLKOOD-UHFFFAOYSA-N
XLogP3.43
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide
CID 154874416
3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide
CID 64892717
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998
1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122356805
4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide
CID 86828959
N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122301497
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 71898657
N-(2-chloro-1,3-benzoxazol-4-yl)acetamide
CID 82394758
4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide
CID 121028810
(3aS,6aR)-2,3a-dimethyl-N-(2-methyl-1,3-benzoxazol-4-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 154770403
N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
CID 32618502

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide (CID 167774645) is N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide is Cc1nc2c(NC(=O)C3(c4ccccc4)CCOC3)cccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide?
The InChIKey is RATIJGLSSLKOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-20-17-15(8-5-9-16(17)24-13)21-18(22)19(10-11-23-12-19)14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,21,22).
What are the key properties of N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide?
N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-4-yl)-3-phenyloxolane-3-carboxamide is sourced from PubChem (CID 167774645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).