(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide

C19H16N2O4 — CID 27234711

IUPAC(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)[C@H]1CCCO1
InChIInChI=1S/C19H16N2O4/c22-17(16-9-4-10-24-16)20-13-6-3-5-12(11-13)18-21-15-8-2-1-7-14(15)19(23)25-18/h1-3,5-8,11,16H,4,9-10H2,(H,20,22)/t16-/m1/s1
InChIKeyKACVDKSHNMKDPJ-MRXNPFEDSA-N
MW336.35 g/mol
LogP2.97
Rot. Bonds3

About (2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide

(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide (PubChem CID 27234711) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
PubChem CID27234711
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)[C@H]1CCCO1
InChIInChI=1S/C19H16N2O4/c22-17(16-9-4-10-24-16)20-13-6-3-5-12(11-13)18-21-15-8-2-1-7-14(15)19(23)25-18/h1-3,5-8,11,16H,4,9-10H2,(H,20,22)/t16-/m1/s1
InChIKeyKACVDKSHNMKDPJ-MRXNPFEDSA-N
XLogP2.97
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2961612
(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
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide
CID 9323003
N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2960902
N-phenyloxolane-2-carboxamide
CID 3453643
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120852128
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide
CID 45153659
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
CID 839397
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 6496846

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide (CID 27234711) is (2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is KACVDKSHNMKDPJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-17(16-9-4-10-24-16)20-13-6-3-5-12(11-13)18-21-15-8-2-1-7-14(15)19(23)25-18/h1-3,5-8,11,16H,4,9-10H2,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide?
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 27234711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).