N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline

C18H22N2O — CID 64623155

IUPACN-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline
SMILESc1ncc(-c2ccc(NC3CCCC(C4CC4)C3)cc2)o1
InChIInChI=1S/C18H22N2O/c1-2-15(13-4-5-13)10-17(3-1)20-16-8-6-14(7-9-16)18-11-19-12-21-18/h6-9,11-13,15,17,20H,1-5,10H2
InChIKeyPUZRUBYCNSHCBT-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.72
Rot. Bonds4

About N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline

N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline (PubChem CID 64623155) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline
PubChem CID64623155
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline
SMILESc1ncc(-c2ccc(NC3CCCC(C4CC4)C3)cc2)o1
InChIInChI=1S/C18H22N2O/c1-2-15(13-4-5-13)10-17(3-1)20-16-8-6-14(7-9-16)18-11-19-12-21-18/h6-9,11-13,15,17,20H,1-5,10H2
InChIKeyPUZRUBYCNSHCBT-UHFFFAOYSA-N
XLogP4.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-oxazol-5-yl)-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448333
N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline
CID 104860103
1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine
CID 54864429
5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine
CID 79942657
2-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thian-3-amine
CID 79957578
1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione
CID 60934102
2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 114997982
N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 64593461
N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942327
4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
CID 70924933
[4-[(3-cyclopropylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64594287
4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline
CID 64594863

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline (CID 64623155) is N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline is c1ncc(-c2ccc(NC3CCCC(C4CC4)C3)cc2)o1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is PUZRUBYCNSHCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-15(13-4-5-13)10-17(3-1)20-16-8-6-14(7-9-16)18-11-19-12-21-18/h6-9,11-13,15,17,20H,1-5,10H2.
What are the key properties of N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline?
N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 282.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 64623155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).