3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide

C16H17N5O2 — CID 119105609

IUPAC3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cccnc1-c1cnn(C)c1
InChIInChI=1S/C16H17N5O2/c1-10-14(11(2)23-20-10)16(22)18-7-12-5-4-6-17-15(12)13-8-19-21(3)9-13/h4-6,8-9H,7H2,1-3H3,(H,18,22)
InChIKeyJNAIBCKMEMZXRA-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.02
Rot. Bonds4

About 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 119105609) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID119105609
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cccnc1-c1cnn(C)c1
InChIInChI=1S/C16H17N5O2/c1-10-14(11(2)23-20-10)16(22)18-7-12-5-4-6-17-15(12)13-8-19-21(3)9-13/h4-6,8-9H,7H2,1-3H3,(H,18,22)
InChIKeyJNAIBCKMEMZXRA-UHFFFAOYSA-N
XLogP2.02
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]furan-3-carboxamide
CID 122275217
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 122275231
2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275363
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122275410
3-cyano-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275220
2-cyclopentyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121022795
5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275266
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275518

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide (CID 119105609) is 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1cccnc1-c1cnn(C)c1.
What is the InChIKey of 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is JNAIBCKMEMZXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-14(11(2)23-20-10)16(22)18-7-12-5-4-6-17-15(12)13-8-19-21(3)9-13/h4-6,8-9H,7H2,1-3H3,(H,18,22).
What are the key properties of 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 119105609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).