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

C15H14N6O3 — CID 176989599

IUPACN-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1(O)CC1)c1coc(Cc2ccc(-n3nccn3)cn2)n1
InChIInChI=1S/C15H14N6O3/c22-14(20-15(23)3-4-15)12-9-24-13(19-12)7-10-1-2-11(8-16-10)21-17-5-6-18-21/h1-2,5-6,8-9,23H,3-4,7H2,(H,20,22)
InChIKeyXUKSNEASMSJHIL-UHFFFAOYSA-N
MW326.32 g/mol
LogP0.45
Rot. Bonds5

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

N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 176989599) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID176989599
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC NameN-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1(O)CC1)c1coc(Cc2ccc(-n3nccn3)cn2)n1
InChIInChI=1S/C15H14N6O3/c22-14(20-15(23)3-4-15)12-9-24-13(19-12)7-10-1-2-11(8-16-10)21-17-5-6-18-21/h1-2,5-6,8-9,23H,3-4,7H2,(H,20,22)
InChIKeyXUKSNEASMSJHIL-UHFFFAOYSA-N
XLogP0.45
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989280
[(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989467
N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide
CID 176989202
[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989223
2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 176989327
[2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone
CID 176989632
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[6-(triazol-2-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989168
2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115084007
2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 118471265
2-[[(2-ethylpyrazole-3-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 131963749
2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 67128434
[(2S,3S)-3-[[3-hydroxy-1-[2-[[6-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]methoxy]-2-methylazetidin-1-yl]-[2-[[6-(triazol-2-yl)pyridazin-3-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989319

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide (CID 176989599) is N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide is O=C(NC1(O)CC1)c1coc(Cc2ccc(-n3nccn3)cn2)n1.
What is the InChIKey of N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XUKSNEASMSJHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c22-14(20-15(23)3-4-15)12-9-24-13(19-12)7-10-1-2-11(8-16-10)21-17-5-6-18-21/h1-2,5-6,8-9,23H,3-4,7H2,(H,20,22).
What are the key properties of N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 176989599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).