[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

C19H21N5O2 — CID 70708579

IUPAC[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCn1cnnc1CC1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H21N5O2/c1-23-13-20-21-18(23)11-14-7-9-24(10-8-14)19(25)17-12-16(22-26-17)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3
InChIKeyVEDJBSYILHCHSW-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.57
Rot. Bonds4

About [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 70708579) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID70708579
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCn1cnnc1CC1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H21N5O2/c1-23-13-20-21-18(23)11-14-7-9-24(10-8-14)19(25)17-12-16(22-26-17)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3
InChIKeyVEDJBSYILHCHSW-UHFFFAOYSA-N
XLogP2.57
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 22548170
[4-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 32016235
3-(4-methyl-4H-1,2,4-triazol-3-yl)-1-[(5-phenyl-3-isoxazolyl)carbonyl]piperidine
CID 53529305
5-[[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 53571099
3-Phenyl-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 53588372
3-(4-Methylphenyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 53589676
3-(3,4-difluorophenyl)-5-[2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 56746045
4-[[3-(4-Methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 56802768
(3-Pentan-3-yl-1,2-oxazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72126795
3-(diphenylmethyl)-5-(1H-1,2,4-triazol-1-ylacetyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 26318733
2-(3,5-dimethyl-4-isoxazolyl)-1-[3-phenyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone
CID 53193536
(4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)(5-phenylisoxazol-3-yl)methanone
CID 56724042

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (CID 70708579) is [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is Cn1cnnc1CC1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1.
What is the InChIKey of [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is VEDJBSYILHCHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-13-20-21-18(23)11-14-7-9-24(10-8-14)19(25)17-12-16(22-26-17)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3.
What are the key properties of [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 70708579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).