N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide

C11H18N2O2 — CID 53195169

IUPACN-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1nc(C)oc1C
InChIInChI=1S/C11H18N2O2/c1-5-6-7-13(4)11(14)10-8(2)15-9(3)12-10/h5-7H2,1-4H3
InChIKeyBHVUMGJMPARXOM-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.16
Rot. Bonds4

About N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide

N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 53195169) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID53195169
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1nc(C)oc1C
InChIInChI=1S/C11H18N2O2/c1-5-6-7-13(4)11(14)10-8(2)15-9(3)12-10/h5-7H2,1-4H3
InChIKeyBHVUMGJMPARXOM-UHFFFAOYSA-N
XLogP2.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethyloxazole-4-carbonyl)-N-ethyl-3-methyl-nipecotamide
CID 49789616
N-cyclopentyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195138
2,5-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195165
(2,4-Dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 71926645
(2,4-Dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 75423546
1-[4-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 75423554
N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195128
1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 49790804
3-Methoxy-1-{4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidin-1-YL}propan-1-one
CID 53168360
3-Methoxy-1-{4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-YL]piperidin-1-YL}propan-1-one
CID 53168389
3-Methoxy-1-{4-[5-methyl-4-(morpholinocarbonyl)-1,3-oxazol-2-yl]piperidino}-1-propanone
CID 53168409
1-[4-[5-Methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 53168422

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide (CID 53195169) is N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide is CCCCN(C)C(=O)c1nc(C)oc1C.
What is the InChIKey of N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is BHVUMGJMPARXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-6-7-13(4)11(14)10-8(2)15-9(3)12-10/h5-7H2,1-4H3.
What are the key properties of N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide?
N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).