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

C24H26N2O4 — CID 48584384

IUPACN-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2cccc(COCC3CC3)c2)c1
InChIInChI=1S/C24H26N2O4/c1-16-23(17(2)30-26-16)15-29-22-8-4-6-20(12-22)24(27)25-21-7-3-5-19(11-21)14-28-13-18-9-10-18/h3-8,11-12,18H,9-10,13-15H2,1-2H3,(H,25,27)
InChIKeyPNPBSHKLLOMWQC-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.05
Rot. Bonds9

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

N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 48584384) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID48584384
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2cccc(COCC3CC3)c2)c1
InChIInChI=1S/C24H26N2O4/c1-16-23(17(2)30-26-16)15-29-22-8-4-6-20(12-22)24(27)25-21-7-3-5-19(11-21)14-28-13-18-9-10-18/h3-8,11-12,18H,9-10,13-15H2,1-2H3,(H,25,27)
InChIKeyPNPBSHKLLOMWQC-UHFFFAOYSA-N
XLogP5.05
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 46417031
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CID 26380377
N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
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3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 30750475
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 41172527
methyl 2-chloro-5-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 38236289
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CID 46455012
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26249570
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 48584384) is N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(COCC3CC3)c2)c1.
What is the InChIKey of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is PNPBSHKLLOMWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-23(17(2)30-26-16)15-29-22-8-4-6-20(12-22)24(27)25-21-7-3-5-19(11-21)14-28-13-18-9-10-18/h3-8,11-12,18H,9-10,13-15H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 406.48 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 48584384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).