4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine

C18H17ClN4O — CID 16745465

IUPAC4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NCC2CC2)n1
InChIInChI=1S/C18H17ClN4O/c1-11-8-15(22-18(21-11)20-10-12-2-3-12)16-9-17(24-23-16)13-4-6-14(19)7-5-13/h4-9,12H,2-3,10H2,1H3,(H,20,21,22)
InChIKeyKHMKLYBNZAQQOF-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.58
Rot. Bonds5

About 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine

4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine (PubChem CID 16745465) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine
PubChem CID16745465
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NCC2CC2)n1
InChIInChI=1S/C18H17ClN4O/c1-11-8-15(22-18(21-11)20-10-12-2-3-12)16-9-17(24-23-16)13-4-6-14(19)7-5-13/h4-9,12H,2-3,10H2,1H3,(H,20,21,22)
InChIKeyKHMKLYBNZAQQOF-UHFFFAOYSA-N
XLogP4.58
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine (CID 16745465) is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine is Cc1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NCC2CC2)n1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine?
The InChIKey is KHMKLYBNZAQQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-8-15(22-18(21-11)20-10-12-2-3-12)16-9-17(24-23-16)13-4-6-14(19)7-5-13/h4-9,12H,2-3,10H2,1H3,(H,20,21,22).
What are the key properties of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine?
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine has a molecular weight of 340.81 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 16745465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).