2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide

C16H23N7O3 — CID 131944892

IUPAC2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2CCN(C(=O)Cn3cnnn3)CC2)o1
InChIInChI=1S/C16H23N7O3/c1-3-13-19-11(2)15(26-13)16(25)17-8-12-4-6-22(7-5-12)14(24)9-23-10-18-20-21-23/h10,12H,3-9H2,1-2H3,(H,17,25)
InChIKeyICFWCLLUPPJDON-UHFFFAOYSA-N
MW361.41 g/mol
LogP0.20
Rot. Bonds6

About 2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 131944892) has the molecular formula C16H23N7O3 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID131944892
Molecular FormulaC16H23N7O3
Molecular Weight361.41 g/mol
Exact Mass361.19
IUPAC Name2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2CCN(C(=O)Cn3cnnn3)CC2)o1
InChIInChI=1S/C16H23N7O3/c1-3-13-19-11(2)15(26-13)16(25)17-8-12-4-6-22(7-5-12)14(24)9-23-10-18-20-21-23/h10,12H,3-9H2,1-2H3,(H,17,25)
InChIKeyICFWCLLUPPJDON-UHFFFAOYSA-N
XLogP0.20
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 131925944
2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 56722115
(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94182054
N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 72895304
formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 154908443
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
CID 78875804
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide
CID 154570582
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139
3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78904858
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
2-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 125144382

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide (CID 131944892) is 2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCC2CCN(C(=O)Cn3cnnn3)CC2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is ICFWCLLUPPJDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O3/c1-3-13-19-11(2)15(26-13)16(25)17-8-12-4-6-22(7-5-12)14(24)9-23-10-18-20-21-23/h10,12H,3-9H2,1-2H3,(H,17,25).
What are the key properties of 2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 131944892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).