N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C18H23N5O3 — CID 125000571

IUPACN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1noc2c1CCCC2
InChIInChI=1S/C18H23N5O3/c24-17(16-13-4-1-2-5-14(13)26-22-16)21-11-18(25)6-3-9-23(12-18)15-10-19-7-8-20-15/h7-8,10,25H,1-6,9,11-12H2,(H,21,24)/t18-/m0/s1
InChIKeyRWRUCOLYDQLXRD-SFHVURJKSA-N
MW357.41 g/mol
LogP1.10
Rot. Bonds4

About N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 125000571) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID125000571
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1noc2c1CCCC2
InChIInChI=1S/C18H23N5O3/c24-17(16-13-4-1-2-5-14(13)26-22-16)21-11-18(25)6-3-9-23(12-18)15-10-19-7-8-20-15/h7-8,10,25H,1-6,9,11-12H2,(H,21,24)/t18-/m0/s1
InChIKeyRWRUCOLYDQLXRD-SFHVURJKSA-N
XLogP1.10
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124947808
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124964290
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110123523
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988701
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 124961649
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124966264
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 124946642
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 124977632
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 110123546
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(methoxymethyl)benzamide
CID 110123551
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110123809
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 125000571) is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1noc2c1CCCC2.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is RWRUCOLYDQLXRD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-17(16-13-4-1-2-5-14(13)26-22-16)21-11-18(25)6-3-9-23(12-18)15-10-19-7-8-20-15/h7-8,10,25H,1-6,9,11-12H2,(H,21,24)/t18-/m0/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 125000571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).