5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

C16H18N6O2 — CID 57382847

IUPAC5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ncnc4[nH]ccc34)CC2)no1
InChIInChI=1S/C16H18N6O2/c1-10-8-13(21-24-10)16(23)20-11-3-6-22(7-4-11)15-12-2-5-17-14(12)18-9-19-15/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,20,23)(H,17,18,19)
InChIKeyZRTXTNWIULPJAD-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.65
Rot. Bonds3

About 5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 57382847) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID57382847
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ncnc4[nH]ccc34)CC2)no1
InChIInChI=1S/C16H18N6O2/c1-10-8-13(21-24-10)16(23)20-11-3-6-22(7-4-11)15-12-2-5-17-14(12)18-9-19-15/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,20,23)(H,17,18,19)
InChIKeyZRTXTNWIULPJAD-UHFFFAOYSA-N
XLogP1.65
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 57382810
5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817778
N-cyclopropyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 141448653
N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 99773777
1-[2-(4-fluorophenyl)ethyl]-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]urea
CID 90114853
N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
4-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 146084212
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146014294
5-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47075099
2-(5-methyl-1,2-oxazol-3-yl)-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]ethanone
CID 66653557

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 57382847) is 5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(c3ncnc4[nH]ccc34)CC2)no1.
What is the InChIKey of 5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZRTXTNWIULPJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-8-13(21-24-10)16(23)20-11-3-6-22(7-4-11)15-12-2-5-17-14(12)18-9-19-15/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,20,23)(H,17,18,19).
What are the key properties of 5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 57382847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).