N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide

C17H22N2O4 — CID 110003599

IUPACN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1cccc2c1oc(=O)n2C
InChIInChI=1S/C17H22N2O4/c1-18(10-11-6-3-4-9-14(11)20)16(21)12-7-5-8-13-15(12)23-17(22)19(13)2/h5,7-8,11,14,20H,3-4,6,9-10H2,1-2H3
InChIKeyPYEDQQDDORFDAT-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.75
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide (PubChem CID 110003599) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide
PubChem CID110003599
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1cccc2c1oc(=O)n2C
InChIInChI=1S/C17H22N2O4/c1-18(10-11-6-3-4-9-14(11)20)16(21)12-7-5-8-13-15(12)23-17(22)19(13)2/h5,7-8,11,14,20H,3-4,6,9-10H2,1-2H3
InChIKeyPYEDQQDDORFDAT-UHFFFAOYSA-N
XLogP1.75
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide (CID 110003599) is N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide is CN(CC1CCCCC1O)C(=O)c1cccc2c1oc(=O)n2C.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The InChIKey is PYEDQQDDORFDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-18(10-11-6-3-4-9-14(11)20)16(21)12-7-5-8-13-15(12)23-17(22)19(13)2/h5,7-8,11,14,20H,3-4,6,9-10H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 110003599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).