N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C17H21N5O2 — CID 122298679

IUPACN-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1noc2c1CCCC2
InChIInChI=1S/C17H21N5O2/c23-16(15-13-6-2-3-7-14(13)24-21-15)20-12-10-18-17(19-11-12)22-8-4-1-5-9-22/h10-11H,1-9H2,(H,20,23)
InChIKeyIEAQTWUJWYTTQJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.59
Rot. Bonds3

About N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 122298679) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID122298679
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1noc2c1CCCC2
InChIInChI=1S/C17H21N5O2/c23-16(15-13-6-2-3-7-14(13)24-21-15)20-12-10-18-17(19-11-12)22-8-4-1-5-9-22/h10-11H,1-9H2,(H,20,23)
InChIKeyIEAQTWUJWYTTQJ-UHFFFAOYSA-N
XLogP2.59
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 91814118
N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254493
methyl 4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonylamino)benzoate
CID 45493533
2-methyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonylamino)benzoic acid
CID 120528927
N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 136533940
N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3241508
N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254536
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254539
N-[2-(azepan-1-yl)pyrimidin-5-yl]-6-chloropyridine-3-carboxamide
CID 53164742

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 122298679) is N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(Nc1cnc(N2CCCCC2)nc1)c1noc2c1CCCC2.
What is the InChIKey of N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is IEAQTWUJWYTTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16(15-13-6-2-3-7-14(13)24-21-15)20-12-10-18-17(19-11-12)22-8-4-1-5-9-22/h10-11H,1-9H2,(H,20,23).
What are the key properties of N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 122298679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).