N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

C16H21N5O2 — CID 71868323

IUPACN-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCc1cccnc1CNC(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C16H21N5O2/c1-13-3-2-5-17-15(13)11-18-16(22)21-8-6-20(7-9-21)12-14-4-10-23-19-14/h2-5,10H,6-9,11-12H2,1H3,(H,18,22)
InChIKeyGEWWYHKKWGYCLR-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.41
Rot. Bonds4

About N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 71868323) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID71868323
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCc1cccnc1CNC(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C16H21N5O2/c1-13-3-2-5-17-15(13)11-18-16(22)21-8-6-20(7-9-21)12-14-4-10-23-19-14/h2-5,10H,6-9,11-12H2,1H3,(H,18,22)
InChIKeyGEWWYHKKWGYCLR-UHFFFAOYSA-N
XLogP1.41
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990274
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide
CID 131176570
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 51074101
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 95967566
4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide
CID 72868148
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70731899
4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 121496771

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (CID 71868323) is N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is Cc1cccnc1CNC(=O)N1CCN(Cc2ccon2)CC1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is GEWWYHKKWGYCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-13-3-2-5-17-15(13)11-18-16(22)21-8-6-20(7-9-21)12-14-4-10-23-19-14/h2-5,10H,6-9,11-12H2,1H3,(H,18,22).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71868323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).