6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde

C15H20N2O2 — CID 174446537

IUPAC6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde
SMILESCNC1CCC(c2ccc3c(c2)OC(C=O)N3)CC1
InChIInChI=1S/C15H20N2O2/c1-16-12-5-2-10(3-6-12)11-4-7-13-14(8-11)19-15(9-18)17-13/h4,7-10,12,15-17H,2-3,5-6H2,1H3
InChIKeyTYVKOFCMWOPRMS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.26
Rot. Bonds3

About 6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde

6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde (PubChem CID 174446537) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde.

Molecular Properties

Compound Name6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde
PubChem CID174446537
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde
SMILESCNC1CCC(c2ccc3c(c2)OC(C=O)N3)CC1
InChIInChI=1S/C15H20N2O2/c1-16-12-5-2-10(3-6-12)11-4-7-13-14(8-11)19-15(9-18)17-13/h4,7-10,12,15-17H,2-3,5-6H2,1H3
InChIKeyTYVKOFCMWOPRMS-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde?
The IUPAC name of 6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde (CID 174446537) is 6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde.
What is the SMILES notation for 6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde?
The canonical SMILES for 6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde is CNC1CCC(c2ccc3c(c2)OC(C=O)N3)CC1.
What is the InChIKey of 6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde?
The InChIKey is TYVKOFCMWOPRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-12-5-2-10(3-6-12)11-4-7-13-14(8-11)19-15(9-18)17-13/h4,7-10,12,15-17H,2-3,5-6H2,1H3.
What are the key properties of 6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde?
6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde has a molecular weight of 260.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylamino)cyclohexyl]-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde is sourced from PubChem (CID 174446537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).