N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide

C17H20N4O2 — CID 136565347

IUPACN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide
SMILESO=C(NCc1nc(C2CC2)n[nH]1)C1(c2ccccc2)CCCO1
InChIInChI=1S/C17H20N4O2/c22-16(18-11-14-19-15(21-20-14)12-7-8-12)17(9-4-10-23-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H,18,22)(H,19,20,21)
InChIKeyOLNSMHOVSZUELF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.00
Rot. Bonds5

About N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide (PubChem CID 136565347) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide
PubChem CID136565347
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide
SMILESO=C(NCc1nc(C2CC2)n[nH]1)C1(c2ccccc2)CCCO1
InChIInChI=1S/C17H20N4O2/c22-16(18-11-14-19-15(21-20-14)12-7-8-12)17(9-4-10-23-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H,18,22)(H,19,20,21)
InChIKeyOLNSMHOVSZUELF-UHFFFAOYSA-N
XLogP2.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide
CID 128592567
2-phenyl-N-[[3-[(3S)-piperidin-3-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 125451126
N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide
CID 136564104
3-cyclohexyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338132
methyl (2R)-2-phenyloxolane-2-carboxylate
CID 167251855
N-(5-methoxy-1H-indazol-3-yl)-2-phenyloxolane-2-carboxamide
CID 136564747
N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide
CID 167827597
2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 126823384
(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
CID 61338898
3-cyclopropyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338115
3-cyclopropyl-5-(phenoxymethyl)-1H-1,2,4-triazole
CID 61336550
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyloxane-2-carboxamide
CID 125443988

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide (CID 136565347) is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide is O=C(NCc1nc(C2CC2)n[nH]1)C1(c2ccccc2)CCCO1.
What is the InChIKey of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide?
The InChIKey is OLNSMHOVSZUELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(18-11-14-19-15(21-20-14)12-7-8-12)17(9-4-10-23-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H,18,22)(H,19,20,21).
What are the key properties of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide?
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide is sourced from PubChem (CID 136565347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).