2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide

C12H19N3O2 — CID 3795383

IUPAC2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NCC2CC2)co1
InChIInChI=1S/C12H19N3O2/c1-2-3-9(13)12-15-10(7-17-12)11(16)14-6-8-4-5-8/h7-9H,2-6,13H2,1H3,(H,14,16)
InChIKeyCRGQWWSSSBLFMJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.61
Rot. Bonds6

About 2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide

2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3795383) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID3795383
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NCC2CC2)co1
InChIInChI=1S/C12H19N3O2/c1-2-3-9(13)12-15-10(7-17-12)11(16)14-6-8-4-5-8/h7-9H,2-6,13H2,1H3,(H,14,16)
InChIKeyCRGQWWSSSBLFMJ-UHFFFAOYSA-N
XLogP1.61
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide (CID 3795383) is 2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide is CCCC(N)c1nc(C(=O)NCC2CC2)co1.
What is the InChIKey of 2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CRGQWWSSSBLFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-9(13)12-15-10(7-17-12)11(16)14-6-8-4-5-8/h7-9H,2-6,13H2,1H3,(H,14,16).
What are the key properties of 2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3795383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).