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

C16H18N6O2 — CID 122245770

IUPACN-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(Cn1cncn1)NC(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H18N6O2/c1-11(2)14(8-22-10-18-9-19-22)20-16(23)13-6-15(24-21-13)12-4-3-5-17-7-12/h3-7,9-11,14H,8H2,1-2H3,(H,20,23)
InChIKeyIRSZNTPRZXIWPO-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.78
Rot. Bonds6

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

N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 122245770) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID122245770
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(Cn1cncn1)NC(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H18N6O2/c1-11(2)14(8-22-10-18-9-19-22)20-16(23)13-6-15(24-21-13)12-4-3-5-17-7-12/h3-7,9-11,14H,8H2,1-2H3,(H,20,23)
InChIKeyIRSZNTPRZXIWPO-UHFFFAOYSA-N
XLogP1.78
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide
CID 51117222
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119526848
5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 55780169
2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119213726
5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 166209272
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55939577
N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 122162145
5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide
CID 97098020
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 167797492
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 51956096
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 122245770) is N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is CC(C)C(Cn1cncn1)NC(=O)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IRSZNTPRZXIWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11(2)14(8-22-10-18-9-19-22)20-16(23)13-6-15(24-21-13)12-4-3-5-17-7-12/h3-7,9-11,14H,8H2,1-2H3,(H,20,23).
What are the key properties of N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122245770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).