4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine

C13H14ClN3O — CID 117414139

IUPAC4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c14-11-7-9(10-8-16-18-13(10)15)3-4-12(11)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6,15H2
InChIKeyVXMMFASFRLMTHM-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.18
Rot. Bonds2

About 4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine

4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117414139) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117414139
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c14-11-7-9(10-8-16-18-13(10)15)3-4-12(11)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6,15H2
InChIKeyVXMMFASFRLMTHM-UHFFFAOYSA-N
XLogP3.18
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117472714
4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine
CID 117334117
4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117490337
4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine
CID 117416149
6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 118894240
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117308055
4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine
CID 117336621
4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine
CID 117314072
4-(1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 117289787
4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117367114
4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine
CID 117488480
4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117367818

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine (CID 117414139) is 4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine is Nc1oncc1-c1ccc(N2CCCC2)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is VXMMFASFRLMTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-11-7-9(10-8-16-18-13(10)15)3-4-12(11)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6,15H2.
What are the key properties of 4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine?
4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 263.73 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117414139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).