[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

C15H24N6O2 — CID 95199938

IUPAC[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCC(C)C1=NO[C@H](C(=O)N2CCN(CCn3cncn3)CC2)C1
InChIInChI=1S/C15H24N6O2/c1-12(2)13-9-14(23-18-13)15(22)20-6-3-19(4-7-20)5-8-21-11-16-10-17-21/h10-12,14H,3-9H2,1-2H3/t14-/m0/s1
InChIKeyVBLQVQIAUWVZGX-AWEZNQCLSA-N
MW320.40 g/mol
LogP0.22
Rot. Bonds5

About [(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 95199938) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is [(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID95199938
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCC(C)C1=NO[C@H](C(=O)N2CCN(CCn3cncn3)CC2)C1
InChIInChI=1S/C15H24N6O2/c1-12(2)13-9-14(23-18-13)15(22)20-6-3-19(4-7-20)5-8-21-11-16-10-17-21/h10-12,14H,3-9H2,1-2H3/t14-/m0/s1
InChIKeyVBLQVQIAUWVZGX-AWEZNQCLSA-N
XLogP0.22
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

3-isopropyl-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-4,5-dihydroisoxazole-5-carboxamide
CID 56742868
1-[(3-isopropyl-4,5-dihydroisoxazol-5-yl)carbonyl]-4-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine
CID 56743115
(5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199587
(5R)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199588
[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 95199939
[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 129620380
[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 129620381
1-[(3-isopropyl-4,5-dihydroisoxazol-5-yl)carbonyl]-4-(4H-1,2,4-triazol-3-ylmethyl)piperazine
CID 131933663
1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-[(3-isopropyl-4,5-dihydroisoxazol-5-yl)carbonyl]-1,4-diazepane
CID 138807006

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 95199938) is [(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is CC(C)C1=NO[C@H](C(=O)N2CCN(CCn3cncn3)CC2)C1.
What is the InChIKey of [(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is VBLQVQIAUWVZGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-12(2)13-9-14(23-18-13)15(22)20-6-3-19(4-7-20)5-8-21-11-16-10-17-21/h10-12,14H,3-9H2,1-2H3/t14-/m0/s1.
What are the key properties of [(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 320.40 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95199938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).