3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide

C14H21N3O2 — CID 91957130

IUPAC3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2(CN3CCCC3)CC2)on1
InChIInChI=1S/C14H21N3O2/c1-11-8-12(19-16-11)13(18)15-9-14(4-5-14)10-17-6-2-3-7-17/h8H,2-7,9-10H2,1H3,(H,15,18)
InChIKeyBPQUDVGBRNZGIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.59
Rot. Bonds5

About 3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 91957130) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID91957130
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2(CN3CCCC3)CC2)on1
InChIInChI=1S/C14H21N3O2/c1-11-8-12(19-16-11)13(18)15-9-14(4-5-14)10-17-6-2-3-7-17/h8H,2-7,9-10H2,1H3,(H,15,18)
InChIKeyBPQUDVGBRNZGIC-UHFFFAOYSA-N
XLogP1.59
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 91957824
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91957981
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 113400462
5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide
CID 91957229
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 124997099
6-methyl-2-piperidin-1-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957643
5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 91957127
N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55082649
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46965137
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 91957211
N-[1-(aminomethyl)cyclopentyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119568167
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115877949

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide (CID 91957130) is 3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC2(CN3CCCC3)CC2)on1.
What is the InChIKey of 3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is BPQUDVGBRNZGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-8-12(19-16-11)13(18)15-9-14(4-5-14)10-17-6-2-3-7-17/h8H,2-7,9-10H2,1H3,(H,15,18).
What are the key properties of 3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91957130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).