N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide

C9H12N2O2 — CID 130987515

IUPACN-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
SMILESCc1nocc1CNC(=O)C1CC1
InChIInChI=1S/C9H12N2O2/c1-6-8(5-13-11-6)4-10-9(12)7-2-3-7/h5,7H,2-4H2,1H3,(H,10,12)
InChIKeySITBMJDTMHYJGN-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.01
Rot. Bonds3

About N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide

N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide (PubChem CID 130987515) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
PubChem CID130987515
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
SMILESCc1nocc1CNC(=O)C1CC1
InChIInChI=1S/C9H12N2O2/c1-6-8(5-13-11-6)4-10-9(12)7-2-3-7/h5,7H,2-4H2,1H3,(H,10,12)
InChIKeySITBMJDTMHYJGN-UHFFFAOYSA-N
XLogP1.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropanecarboxamide
CID 90536003
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
N-[(3-methyl-1,2-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
CID 138011518
3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide
CID 154855808
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110714751
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
N-(4-methyl-1,2-oxazol-3-yl)cyclopropanecarboxamide
CID 126996186
4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783676
N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanecarboxamide
CID 140923254

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide (CID 130987515) is N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide is Cc1nocc1CNC(=O)C1CC1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide?
The InChIKey is SITBMJDTMHYJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-8(5-13-11-6)4-10-9(12)7-2-3-7/h5,7H,2-4H2,1H3,(H,10,12).
What are the key properties of N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide?
N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide has a molecular weight of 180.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 130987515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).