3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine

C17H19ClN2O — CID 43157972

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(CC2CC3CCC2C3)c1-c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c18-14-3-1-2-12(8-14)16-15(20-21-17(16)19)9-13-7-10-4-5-11(13)6-10/h1-3,8,10-11,13H,4-7,9,19H2
InChIKeyDPZZVPWQZDXUQF-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.56
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine

3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine (PubChem CID 43157972) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
PubChem CID43157972
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(CC2CC3CCC2C3)c1-c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c18-14-3-1-2-12(8-14)16-15(20-21-17(16)19)9-13-7-10-4-5-11(13)6-10/h1-3,8,10-11,13H,4-7,9,19H2
InChIKeyDPZZVPWQZDXUQF-UHFFFAOYSA-N
XLogP4.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335705
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198674
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66200932
4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine
CID 43335623
4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
CID 43335624
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66198936
4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine
CID 104520006
3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 81316062
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine
CID 79557816
3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 103164211
3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole
CID 130970925

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine (CID 43157972) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine is Nc1onc(CC2CC3CCC2C3)c1-c1cccc(Cl)c1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is DPZZVPWQZDXUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-14-3-1-2-12(8-14)16-15(20-21-17(16)19)9-13-7-10-4-5-11(13)6-10/h1-3,8,10-11,13H,4-7,9,19H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine has a molecular weight of 302.80 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43157972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).