5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine

C16H18Cl2N2O — CID 66198156

IUPAC5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCCC2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c17-11-6-7-12(13(18)9-11)15-14(21-20-16(15)19)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H2,19,20)
InChIKeyMPHKBKPNRDNKFT-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.35
Rot. Bonds3

About 5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine

5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66198156) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
PubChem CID66198156
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCCC2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c17-11-6-7-12(13(18)9-11)15-14(21-20-16(15)19)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H2,19,20)
InChIKeyMPHKBKPNRDNKFT-UHFFFAOYSA-N
XLogP5.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198154
5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66199751
4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine
CID 66200930
5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66199951
5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine
CID 66198710
5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 114459367
5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66198545
4-(2,4-dichlorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107185949
3-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 43335969
5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine
CID 79557646
5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 103167415
5-chloro-2-(cyclohexylmethyl)aniline
CID 105481516

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine (CID 66198156) is 5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine is Nc1noc(CC2CCCCC2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is MPHKBKPNRDNKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c17-11-6-7-12(13(18)9-11)15-14(21-20-16(15)19)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H2,19,20).
What are the key properties of 5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 325.24 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).