N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide

C19H18N2O3 — CID 17361713

IUPACN-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide
SMILESCc1c(NC(=O)C2CCCO2)cccc1-c1nc2ccccc2o1
InChIInChI=1S/C19H18N2O3/c1-12-13(19-21-15-7-2-3-9-16(15)24-19)6-4-8-14(12)20-18(22)17-10-5-11-23-17/h2-4,6-9,17H,5,10-11H2,1H3,(H,20,22)
InChIKeyPSYVKWWQBJMUJE-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.92
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide

N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide (PubChem CID 17361713) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide
PubChem CID17361713
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide
SMILESCc1c(NC(=O)C2CCCO2)cccc1-c1nc2ccccc2o1
InChIInChI=1S/C19H18N2O3/c1-12-13(19-21-15-7-2-3-9-16(15)24-19)6-4-8-14(12)20-18(22)17-10-5-11-23-17/h2-4,6-9,17H,5,10-11H2,1H3,(H,20,22)
InChIKeyPSYVKWWQBJMUJE-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 9185237
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 6460335
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7248012
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide
CID 1215864
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-nitrobenzamide
CID 3364996
(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 7379449
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024
N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 45165679
N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 712724

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide (CID 17361713) is N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide is Cc1c(NC(=O)C2CCCO2)cccc1-c1nc2ccccc2o1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide?
The InChIKey is PSYVKWWQBJMUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-13(19-21-15-7-2-3-9-16(15)24-19)6-4-8-14(12)20-18(22)17-10-5-11-23-17/h2-4,6-9,17H,5,10-11H2,1H3,(H,20,22).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide?
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 17361713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).