5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide

C17H21N5O2 — CID 122318528

IUPAC5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1nccc(N2CCCCC2)n1)c1cc(C2CC2)on1
InChIInChI=1S/C17H21N5O2/c23-17(13-10-14(24-21-13)12-4-5-12)19-11-15-18-7-6-16(20-15)22-8-2-1-3-9-22/h6-7,10,12H,1-5,8-9,11H2,(H,19,23)
InChIKeyMUXRCKNXVVXPOD-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.26
Rot. Bonds5

About 5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 122318528) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID122318528
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1nccc(N2CCCCC2)n1)c1cc(C2CC2)on1
InChIInChI=1S/C17H21N5O2/c23-17(13-10-14(24-21-13)12-4-5-12)19-11-15-18-7-6-16(20-15)22-8-2-1-3-9-22/h6-7,10,12H,1-5,8-9,11H2,(H,19,23)
InChIKeyMUXRCKNXVVXPOD-UHFFFAOYSA-N
XLogP2.26
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318482
2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995
2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
CID 122317438
3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 91966623
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318529
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318546
5-bromo-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122317411

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 122318528) is 5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1nccc(N2CCCCC2)n1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MUXRCKNXVVXPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-17(13-10-14(24-21-13)12-4-5-12)19-11-15-18-7-6-16(20-15)22-8-2-1-3-9-22/h6-7,10,12H,1-5,8-9,11H2,(H,19,23).
What are the key properties of 5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122318528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).