N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide

C21H26N2O4 — CID 47922421

IUPACN-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)N(CC2CCOC2)C2CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-14-20(15(2)27-22-14)13-26-19-7-3-17(4-8-19)21(24)23(18-5-6-18)11-16-9-10-25-12-16/h3-4,7-8,16,18H,5-6,9-13H2,1-2H3
InChIKeyUMCSACZDLKEBBV-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.51
Rot. Bonds7

About N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide

N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 47922421) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide
PubChem CID47922421
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)N(CC2CCOC2)C2CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-14-20(15(2)27-22-14)13-26-19-7-3-17(4-8-19)21(24)23(18-5-6-18)11-16-9-10-25-12-16/h3-4,7-8,16,18H,5-6,9-13H2,1-2H3
InChIKeyUMCSACZDLKEBBV-UHFFFAOYSA-N
XLogP3.51
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 31784558
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2536445
N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 95049582
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
N-benzyl-N-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46540368
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
[(3S)-2-oxooxolan-3-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2444678
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2457673
[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 39566022
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35743315

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide (CID 47922421) is N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide is Cc1noc(C)c1COc1ccc(C(=O)N(CC2CCOC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is UMCSACZDLKEBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-20(15(2)27-22-14)13-26-19-7-3-17(4-8-19)21(24)23(18-5-6-18)11-16-9-10-25-12-16/h3-4,7-8,16,18H,5-6,9-13H2,1-2H3.
What are the key properties of N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide?
N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 47922421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).