N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide

C11H18N2O2 — CID 70605917

IUPACN-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
SMILESCCC(=O)N(c1nc(C)co1)C(C)CC
InChIInChI=1S/C11H18N2O2/c1-5-9(4)13(10(14)6-2)11-12-8(3)7-15-11/h7,9H,5-6H2,1-4H3
InChIKeyMOOFFGMAXGVBCB-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.52
Rot. Bonds4

About N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide

N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide (PubChem CID 70605917) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
PubChem CID70605917
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
SMILESCCC(=O)N(c1nc(C)co1)C(C)CC
InChIInChI=1S/C11H18N2O2/c1-5-9(4)13(10(14)6-2)11-12-8(3)7-15-11/h7,9H,5-6H2,1-4H3
InChIKeyMOOFFGMAXGVBCB-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide
CID 12556890
2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide
CID 57235407
N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
CID 12556899
2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide
CID 21323631
N-(2-methoxyethyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide
CID 21323627
(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid
CID 110835139
1-butyl-3-hexyl-1-(4-methyl-1,3-oxazol-2-yl)urea
CID 23468965
2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid
CID 110836146
N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide
CID 142120576
1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one
CID 133054612
ethyl 2-[ethyl(2-ethylbutyl)amino]-1,3-oxazole-4-carboxylate
CID 113377169
1-(4-methyl-1,3-oxazol-2-yl)propan-2-one
CID 82593984

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide (CID 70605917) is N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide is CCC(=O)N(c1nc(C)co1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is MOOFFGMAXGVBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-9(4)13(10(14)6-2)11-12-8(3)7-15-11/h7,9H,5-6H2,1-4H3.
What are the key properties of N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 210.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 70605917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).