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

C19H18N2O3 — CID 7379449

IUPAC(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESCc1ccc2nc(-c3cccc(NC(=O)[C@@H]4CCCO4)c3)oc2c1
InChIInChI=1S/C19H18N2O3/c1-12-7-8-15-17(10-12)24-19(21-15)13-4-2-5-14(11-13)20-18(22)16-6-3-9-23-16/h2,4-5,7-8,10-11,16H,3,6,9H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyMJBVTZHLBHEKQI-INIZCTEOSA-N
MW322.36 g/mol
LogP3.92
Rot. Bonds3

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

(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide (PubChem CID 7379449) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
PubChem CID7379449
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESCc1ccc2nc(-c3cccc(NC(=O)[C@@H]4CCCO4)c3)oc2c1
InChIInChI=1S/C19H18N2O3/c1-12-7-8-15-17(10-12)24-19(21-15)13-4-2-5-14(11-13)20-18(22)16-6-3-9-23-16/h2,4-5,7-8,10-11,16H,3,6,9H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyMJBVTZHLBHEKQI-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-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide
CID 9323035
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2976279
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2961612
(2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide
CID 9323003
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 3912982
3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1114227
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide
CID 45153659
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide
CID 17361713
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120852128

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide (CID 7379449) is (2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide is Cc1ccc2nc(-c3cccc(NC(=O)[C@@H]4CCCO4)c3)oc2c1.
What is the InChIKey of (2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is MJBVTZHLBHEKQI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-7-8-15-17(10-12)24-19(21-15)13-4-2-5-14(11-13)20-18(22)16-6-3-9-23-16/h2,4-5,7-8,10-11,16H,3,6,9H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide?
(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]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-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 7379449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).