N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide

C14H21N3O3 — CID 74237866

IUPACN-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)CN(C)C(=O)c1ncoc1C1CC1
InChIInChI=1S/C14H21N3O3/c1-3-4-7-15-11(18)8-17(2)14(19)12-13(10-5-6-10)20-9-16-12/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyGVWCQZAERGEHLN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds7

About N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide

N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 74237866) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID74237866
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)CN(C)C(=O)c1ncoc1C1CC1
InChIInChI=1S/C14H21N3O3/c1-3-4-7-15-11(18)8-17(2)14(19)12-13(10-5-6-10)20-9-16-12/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyGVWCQZAERGEHLN-UHFFFAOYSA-N
XLogP1.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide (CID 74237866) is N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide is CCCCNC(=O)CN(C)C(=O)c1ncoc1C1CC1.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is GVWCQZAERGEHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-7-15-11(18)8-17(2)14(19)12-13(10-5-6-10)20-9-16-12/h9-10H,3-8H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide?
N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74237866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).