N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C20H30N2O2 — CID 6621453

IUPACN,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(c1noc2c1CCCC2)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H30N2O2/c23-20(19-17-13-7-8-14-18(17)24-21-19)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16H,1-14H2
InChIKeyFVUOFUYYHOUZOI-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.66
Rot. Bonds3

About N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 6621453) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID6621453
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(c1noc2c1CCCC2)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H30N2O2/c23-20(19-17-13-7-8-14-18(17)24-21-19)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16H,1-14H2
InChIKeyFVUOFUYYHOUZOI-UHFFFAOYSA-N
XLogP4.66
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 6621453) is N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(c1noc2c1CCCC2)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is FVUOFUYYHOUZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-20(19-17-13-7-8-14-18(17)24-21-19)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16H,1-14H2.
What are the key properties of N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 6621453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).