N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide

C19H26N2O4 — CID 87043392

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCc2nc(C)c(C)o2)ccc1OCCC(C)C
InChIInChI=1S/C19H26N2O4/c1-12(2)8-9-24-16-7-6-15(10-17(16)23-5)19(22)20-11-18-21-13(3)14(4)25-18/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,22)
InChIKeyIXHZKDBTAQWKDI-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.65
Rot. Bonds8

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 87043392) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID87043392
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCc2nc(C)c(C)o2)ccc1OCCC(C)C
InChIInChI=1S/C19H26N2O4/c1-12(2)8-9-24-16-7-6-15(10-17(16)23-5)19(22)20-11-18-21-13(3)14(4)25-18/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,22)
InChIKeyIXHZKDBTAQWKDI-UHFFFAOYSA-N
XLogP3.65
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 87043362
3-cyclopentyloxy-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzamide
CID 75503642
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
2-[[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244720
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
CID 54776757
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112790971
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate
CID 99824042

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide (CID 87043392) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)NCc2nc(C)c(C)o2)ccc1OCCC(C)C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is IXHZKDBTAQWKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(2)8-9-24-16-7-6-15(10-17(16)23-5)19(22)20-11-18-21-13(3)14(4)25-18/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,22).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 87043392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).