N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide

C20H29N3O4 — CID 26532706

IUPACN-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1
InChIInChI=1S/C20H29N3O4/c1-6-23(7-2)11-10-21-20(24)16-8-9-18(19(12-16)25-5)26-13-17-14(3)22-27-15(17)4/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,21,24)
InChIKeyNUUYQNOQMFAMEP-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.95
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide

N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (PubChem CID 26532706) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
PubChem CID26532706
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1
InChIInChI=1S/C20H29N3O4/c1-6-23(7-2)11-10-21-20(24)16-8-9-18(19(12-16)25-5)26-13-17-14(3)22-27-15(17)4/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,21,24)
InChIKeyNUUYQNOQMFAMEP-UHFFFAOYSA-N
XLogP2.95
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-3-methoxybenzamide
CID 55350939
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 27681684
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide
CID 55799586
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 51155505
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N,3-dimethoxy-N-methylbenzamide
CID 17465264
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide
CID 24553270
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide
CID 55721236
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 41275870
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 55982175

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (CID 26532706) is N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is CCN(CC)CCNC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The InChIKey is NUUYQNOQMFAMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-6-23(7-2)11-10-21-20(24)16-8-9-18(19(12-16)25-5)26-13-17-14(3)22-27-15(17)4/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide has a molecular weight of 375.47 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 26532706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).