N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide

C12H15N3O3 — CID 71980591

IUPACN-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCc1cc(NC(=O)c2cc(C)no2)on1
InChIInChI=1S/C12H15N3O3/c1-3-4-5-9-7-11(18-15-9)13-12(16)10-6-8(2)14-17-10/h6-7H,3-5H2,1-2H3,(H,13,16)
InChIKeyIEEQDYQYIQKUOO-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.57
Rot. Bonds5

About N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide

N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 71980591) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID71980591
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCc1cc(NC(=O)c2cc(C)no2)on1
InChIInChI=1S/C12H15N3O3/c1-3-4-5-9-7-11(18-15-9)13-12(16)10-6-8(2)14-17-10/h6-7H,3-5H2,1-2H3,(H,13,16)
InChIKeyIEEQDYQYIQKUOO-UHFFFAOYSA-N
XLogP2.57
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide
CID 13229305
N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911364
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(3-butyl-1,2-oxazol-5-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 71924926
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 166206533
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104981056
3-butyl-5-methyl-1,2-oxazole
CID 19872036
2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 3076186
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302

Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 71980591) is N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide is CCCCc1cc(NC(=O)c2cc(C)no2)on1.
What is the InChIKey of N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is IEEQDYQYIQKUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-4-5-9-7-11(18-15-9)13-12(16)10-6-8(2)14-17-10/h6-7H,3-5H2,1-2H3,(H,13,16).
What are the key properties of N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71980591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).