5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole

C15H22N6O — CID 172891311

IUPAC5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCn1cnnc1CN1CCN(Cc2cc(C3CC3)on2)CC1
InChIInChI=1S/C15H22N6O/c1-19-11-16-17-15(19)10-21-6-4-20(5-7-21)9-13-8-14(22-18-13)12-2-3-12/h8,11-12H,2-7,9-10H2,1H3
InChIKeyCYKAYEHJCFUHQD-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.00
Rot. Bonds5

About 5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole

5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 172891311) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID172891311
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCn1cnnc1CN1CCN(Cc2cc(C3CC3)on2)CC1
InChIInChI=1S/C15H22N6O/c1-19-11-16-17-15(19)10-21-6-4-20(5-7-21)9-13-8-14(22-18-13)12-2-3-12/h8,11-12H,2-7,9-10H2,1H3
InChIKeyCYKAYEHJCFUHQD-UHFFFAOYSA-N
XLogP1.00
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

1-Methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53500443
(5-Methyl-1,2-oxazol-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53500485
(5-Cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53502211
3-Methyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 53513745
5-Methyl-3-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 53575314
3-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 53575984
5-Methyl-3-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 53587754
5-Methyl-3-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 53592557
3-Methyl-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 53601436
N-[(5-cyclopropyl-3-isoxazolyl)methyl]-5-isopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56915008
4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[(3-methylisoxazol-5-yl)methyl]piperidine
CID 70729893
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 71928297

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole (CID 172891311) is 5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole is Cn1cnnc1CN1CCN(Cc2cc(C3CC3)on2)CC1.
What is the InChIKey of 5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is CYKAYEHJCFUHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-19-11-16-17-15(19)10-21-6-4-20(5-7-21)9-13-8-14(22-18-13)12-2-3-12/h8,11-12H,2-7,9-10H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole?
5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 302.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 172891311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).