[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C18H19N7O2 — CID 109238714

IUPAC[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(Nc2cncc(C(=O)N3CCN(c4ncccn4)CC3)c2)no1
InChIInChI=1S/C18H19N7O2/c1-13-9-16(23-27-13)22-15-10-14(11-19-12-15)17(26)24-5-7-25(8-6-24)18-20-3-2-4-21-18/h2-4,9-12H,5-8H2,1H3,(H,22,23)
InChIKeyARSLSUHCHVPRCV-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.87
Rot. Bonds4

About [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109238714) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109238714
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(Nc2cncc(C(=O)N3CCN(c4ncccn4)CC3)c2)no1
InChIInChI=1S/C18H19N7O2/c1-13-9-16(23-27-13)22-15-10-14(11-19-12-15)17(26)24-5-7-25(8-6-24)18-20-3-2-4-21-18/h2-4,9-12H,5-8H2,1H3,(H,22,23)
InChIKeyARSLSUHCHVPRCV-UHFFFAOYSA-N
XLogP1.87
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[5-(4-chloroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238703
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109240802
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238713
[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109225372
3-[[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109238710
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004974
[5-(1-phenylethylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109232912
N-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103444
N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106716
furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112898734
N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103614
N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103923

Frequently Asked Questions

What is the IUPAC name of [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109238714) is [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1cc(Nc2cncc(C(=O)N3CCN(c4ncccn4)CC3)c2)no1.
What is the InChIKey of [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ARSLSUHCHVPRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-13-9-16(23-27-13)22-15-10-14(11-19-12-15)17(26)24-5-7-25(8-6-24)18-20-3-2-4-21-18/h2-4,9-12H,5-8H2,1H3,(H,22,23).
What are the key properties of [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 365.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109238714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).