4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine

C12H13ClN2O — CID 105498422

IUPAC4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine
SMILESCC(C)c1oc(N)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-7(2)11-10(15-12(14)16-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H2,14,15)
InChIKeyVCAOKKOQQZZCOT-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.70
Rot. Bonds2

About 4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine

4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine (PubChem CID 105498422) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine
PubChem CID105498422
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine
SMILESCC(C)c1oc(N)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-7(2)11-10(15-12(14)16-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H2,14,15)
InChIKeyVCAOKKOQQZZCOT-UHFFFAOYSA-N
XLogP3.70
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol
CID 105472326
5-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-2-amine
CID 116831978
4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline
CID 83887171
4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832007
3-(4-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 139632562
2-[4-(4-chlorophenyl)-2-methylsulfanyl-1,3-oxazol-5-yl]propanoic acid
CID 18376429
5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 62219998
3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine
CID 63469463
4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2806464
2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3313314
2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid
CID 18376458
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine (CID 105498422) is 4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine is CC(C)c1oc(N)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine?
The InChIKey is VCAOKKOQQZZCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7(2)11-10(15-12(14)16-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine?
4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine has a molecular weight of 236.70 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine is sourced from PubChem (CID 105498422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).