N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C15H18N2O4 — CID 104927714

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)N[C@@H]3CCCC[C@H]3O)ccc2N1
InChIInChI=1S/C15H18N2O4/c18-12-4-2-1-3-10(12)17-15(20)9-5-6-11-13(7-9)21-8-14(19)16-11/h5-7,10,12,18H,1-4,8H2,(H,16,19)(H,17,20)/t10-,12-/m1/s1
InChIKeyHLQYBYBBFJFQGZ-ZYHUDNBSSA-N
MW290.32 g/mol
LogP1.05
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 104927714) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID104927714
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)N[C@@H]3CCCC[C@H]3O)ccc2N1
InChIInChI=1S/C15H18N2O4/c18-12-4-2-1-3-10(12)17-15(20)9-5-6-11-13(7-9)21-8-14(19)16-11/h5-7,10,12,18H,1-4,8H2,(H,16,19)(H,17,20)/t10-,12-/m1/s1
InChIKeyHLQYBYBBFJFQGZ-ZYHUDNBSSA-N
XLogP1.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 104927714) is N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is O=C1COc2cc(C(=O)N[C@@H]3CCCC[C@H]3O)ccc2N1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is HLQYBYBBFJFQGZ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-12-4-2-1-3-10(12)17-15(20)9-5-6-11-13(7-9)21-8-14(19)16-11/h5-7,10,12,18H,1-4,8H2,(H,16,19)(H,17,20)/t10-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 104927714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).