N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline

C18H24N2O — CID 64734169

IUPACN-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC3CCC(C)C(C)C3)cc2)co1
InChIInChI=1S/C18H24N2O/c1-12-4-7-17(10-13(12)2)20-16-8-5-15(6-9-16)18-11-21-14(3)19-18/h5-6,8-9,11-13,17,20H,4,7,10H2,1-3H3
InChIKeyCMSQRHCWSJHJMK-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.89
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline

N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline (PubChem CID 64734169) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
PubChem CID64734169
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC3CCC(C)C(C)C3)cc2)co1
InChIInChI=1S/C18H24N2O/c1-12-4-7-17(10-13(12)2)20-16-8-5-15(6-9-16)18-11-21-14(3)19-18/h5-6,8-9,11-13,17,20H,4,7,10H2,1-3H3
InChIKeyCMSQRHCWSJHJMK-UHFFFAOYSA-N
XLogP4.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline (CID 64734169) is N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline is Cc1nc(-c2ccc(NC3CCC(C)C(C)C3)cc2)co1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The InChIKey is CMSQRHCWSJHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-4-7-17(10-13(12)2)20-16-8-5-15(6-9-16)18-11-21-14(3)19-18/h5-6,8-9,11-13,17,20H,4,7,10H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline has a molecular weight of 284.40 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 64734169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).