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

C20H21ClN4O — CID 16682188

IUPAC4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NCC2CC2)n1
InChIInChI=1S/C20H21ClN4O/c1-12(2)16-9-17(24-20(23-16)22-11-13-3-4-13)18-10-19(26-25-18)14-5-7-15(21)8-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,23,24)
InChIKeyIKONBFRZFIVWDR-UHFFFAOYSA-N
MW368.87 g/mol
LogP5.40
Rot. Bonds6

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

4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 16682188) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID16682188
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NCC2CC2)n1
InChIInChI=1S/C20H21ClN4O/c1-12(2)16-9-17(24-20(23-16)22-11-13-3-4-13)18-10-19(26-25-18)14-5-7-15(21)8-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,23,24)
InChIKeyIKONBFRZFIVWDR-UHFFFAOYSA-N
XLogP5.40
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine (CID 16682188) is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(-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-propan-2-ylpyrimidin-2-amine?
The InChIKey is IKONBFRZFIVWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-12(2)16-9-17(24-20(23-16)22-11-13-3-4-13)18-10-19(26-25-18)14-5-7-15(21)8-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine?
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 368.87 g/mol, XLogP of 5.40, 6 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-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 16682188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).