N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide

C17H25N5O2 — CID 138010017

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide
SMILESCc1noc(C)c1CCNC(=O)N1CCC(c2cncn2C)CC1
InChIInChI=1S/C17H25N5O2/c1-12-15(13(2)24-20-12)4-7-19-17(23)22-8-5-14(6-9-22)16-10-18-11-21(16)3/h10-11,14H,4-9H2,1-3H3,(H,19,23)
InChIKeyUJCUMGLUGIASMO-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.16
Rot. Bonds4

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide (PubChem CID 138010017) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide
PubChem CID138010017
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide
SMILESCc1noc(C)c1CCNC(=O)N1CCC(c2cncn2C)CC1
InChIInChI=1S/C17H25N5O2/c1-12-15(13(2)24-20-12)4-7-19-17(23)22-8-5-14(6-9-22)16-10-18-11-21(16)3/h10-11,14H,4-9H2,1-3H3,(H,19,23)
InChIKeyUJCUMGLUGIASMO-UHFFFAOYSA-N
XLogP2.16
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide
CID 97240756
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 154738700
(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide
CID 99826282
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110646239
1-(cyclopropanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
CID 72871515
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119157988
4-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 119157757
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide
CID 112529886
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 119102745
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
CID 86904681
5-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112529860

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide (CID 138010017) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide is Cc1noc(C)c1CCNC(=O)N1CCC(c2cncn2C)CC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide?
The InChIKey is UJCUMGLUGIASMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-15(13(2)24-20-12)4-7-19-17(23)22-8-5-14(6-9-22)16-10-18-11-21(16)3/h10-11,14H,4-9H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138010017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).