(2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide

C19H18N2O3 — CID 9323035

IUPAC(2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide
SMILESCc1ccc(-c2nc3ccc(NC(=O)[C@@H]4CCCO4)cc3o2)cc1
InChIInChI=1S/C19H18N2O3/c1-12-4-6-13(7-5-12)19-21-15-9-8-14(11-17(15)24-19)20-18(22)16-3-2-10-23-16/h4-9,11,16H,2-3,10H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyLOMYDOXXEDXFLS-INIZCTEOSA-N
MW322.36 g/mol
LogP3.92
Rot. Bonds3

About (2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide

(2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide (PubChem CID 9323035) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide
PubChem CID9323035
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide
SMILESCc1ccc(-c2nc3ccc(NC(=O)[C@@H]4CCCO4)cc3o2)cc1
InChIInChI=1S/C19H18N2O3/c1-12-4-6-13(7-5-12)19-21-15-9-8-14(11-17(15)24-19)20-18(22)16-3-2-10-23-16/h4-9,11,16H,2-3,10H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyLOMYDOXXEDXFLS-INIZCTEOSA-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

(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 7379449
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2976279
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 94194100
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
(E)-N,N'-bis[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]but-2-enediamide
CID 101118961
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide
CID 17361713
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide (CID 9323035) is (2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide is Cc1ccc(-c2nc3ccc(NC(=O)[C@@H]4CCCO4)cc3o2)cc1.
What is the InChIKey of (2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide?
The InChIKey is LOMYDOXXEDXFLS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-4-6-13(7-5-12)19-21-15-9-8-14(11-17(15)24-19)20-18(22)16-3-2-10-23-16/h4-9,11,16H,2-3,10H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide?
(2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]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 (2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide is sourced from PubChem (CID 9323035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).