N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine

C18H19ClN6O — CID 112898397

IUPACN-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2nccc(N3CCN(c4cccc(Cl)c4)CC3)n2)no1
InChIInChI=1S/C18H19ClN6O/c1-13-11-16(23-26-13)21-18-20-6-5-17(22-18)25-9-7-24(8-10-25)15-4-2-3-14(19)12-15/h2-6,11-12H,7-10H2,1H3,(H,20,21,22,23)
InChIKeyGUYALHSZHAIPIB-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.50
Rot. Bonds4

About N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine

N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 112898397) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID112898397
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC NameN-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2nccc(N3CCN(c4cccc(Cl)c4)CC3)n2)no1
InChIInChI=1S/C18H19ClN6O/c1-13-11-16(23-26-13)21-18-20-6-5-17(22-18)25-9-7-24(8-10-25)15-4-2-3-14(19)12-15/h2-6,11-12H,7-10H2,1H3,(H,20,21,22,23)
InChIKeyGUYALHSZHAIPIB-UHFFFAOYSA-N
XLogP3.50
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109310440
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898327
N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898122
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone
CID 109174451
[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309545
5-methyl-N-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
CID 112955521
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112898366
[4-(3-chlorophenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109353009
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-3-oxopropanamide
CID 108950660
N-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896430
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
CID 112899634

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine (CID 112898397) is N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine is Cc1cc(Nc2nccc(N3CCN(c4cccc(Cl)c4)CC3)n2)no1.
What is the InChIKey of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is GUYALHSZHAIPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-13-11-16(23-26-13)21-18-20-6-5-17(22-18)25-9-7-24(8-10-25)15-4-2-3-14(19)12-15/h2-6,11-12H,7-10H2,1H3,(H,20,21,22,23).
What are the key properties of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 370.84 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 112898397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).