N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C18H20N2O3 — CID 46271825

IUPACN-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1noc2c1COc1ccccc1-2
InChIInChI=1S/C18H20N2O3/c1-11-6-2-4-8-14(11)19-18(21)16-13-10-22-15-9-5-3-7-12(15)17(13)23-20-16/h3,5,7,9,11,14H,2,4,6,8,10H2,1H3,(H,19,21)
InChIKeyTWJWJORVEBOENE-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.54
Rot. Bonds2

About N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46271825) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46271825
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1noc2c1COc1ccccc1-2
InChIInChI=1S/C18H20N2O3/c1-11-6-2-4-8-14(11)19-18(21)16-13-10-22-15-9-5-3-7-12(15)17(13)23-20-16/h3,5,7,9,11,14H,2,4,6,8,10H2,1H3,(H,19,21)
InChIKeyTWJWJORVEBOENE-UHFFFAOYSA-N
XLogP3.54
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46271825) is N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is CC1CCCCC1NC(=O)c1noc2c1COc1ccccc1-2.
What is the InChIKey of N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is TWJWJORVEBOENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-6-2-4-8-14(11)19-18(21)16-13-10-22-15-9-5-3-7-12(15)17(13)23-20-16/h3,5,7,9,11,14H,2,4,6,8,10H2,1H3,(H,19,21).
What are the key properties of N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46271825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).