6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

C16H14ClN5O2 — CID 109348751

IUPAC6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ncn2)no1
InChIInChI=1S/C16H14ClN5O2/c1-10-6-15(22-24-10)21-16(23)13-7-14(20-9-19-13)18-8-11-2-4-12(17)5-3-11/h2-7,9H,8H2,1H3,(H,18,19,20)(H,21,22,23)
InChIKeyWSZHFZFJENNERR-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.29
Rot. Bonds5

About 6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109348751) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID109348751
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ncn2)no1
InChIInChI=1S/C16H14ClN5O2/c1-10-6-15(22-24-10)21-16(23)13-7-14(20-9-19-13)18-8-11-2-4-12(17)5-3-11/h2-7,9H,8H2,1H3,(H,18,19,20)(H,21,22,23)
InChIKeyWSZHFZFJENNERR-UHFFFAOYSA-N
XLogP3.29
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109346618
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109348709
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109348749
N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320
N-(4-chloro-2-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349100
6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide
CID 109348691
6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109353668
N-(5-methyl-1,2-oxazol-3-yl)-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118580

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109348751) is 6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is Cc1cc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ncn2)no1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is WSZHFZFJENNERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-10-6-15(22-24-10)21-16(23)13-7-14(20-9-19-13)18-8-11-2-4-12(17)5-3-11/h2-7,9H,8H2,1H3,(H,18,19,20)(H,21,22,23).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109348751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).