3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide

C18H32N2O2 — CID 78847324

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide
SMILESCc1noc(C)c1CCC(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C18H32N2O2/c1-13(2)9-11-20(12-10-14(3)4)18(21)8-7-17-15(5)19-22-16(17)6/h13-14H,7-12H2,1-6H3
InChIKeyYGRXPTNINCFGQL-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.14
Rot. Bonds9

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide (PubChem CID 78847324) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide
PubChem CID78847324
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide
SMILESCc1noc(C)c1CCC(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C18H32N2O2/c1-13(2)9-11-20(12-10-14(3)4)18(21)8-7-17-15(5)19-22-16(17)6/h13-14H,7-12H2,1-6H3
InChIKeyYGRXPTNINCFGQL-UHFFFAOYSA-N
XLogP4.14
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide
CID 78847325
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpropanamide
CID 60645997
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 78788550
N-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide
CID 86977378
N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 134003985
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 86908122
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
CID 43239752
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 78806436
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 84603513
(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid
CID 78975515
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914904

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide (CID 78847324) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide is Cc1noc(C)c1CCC(=O)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide?
The InChIKey is YGRXPTNINCFGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-13(2)9-11-20(12-10-14(3)4)18(21)8-7-17-15(5)19-22-16(17)6/h13-14H,7-12H2,1-6H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide has a molecular weight of 308.47 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide is sourced from PubChem (CID 78847324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).