ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate

C19H21ClN2O4 — CID 70285282

IUPACethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate
SMILESCCCN(C(=O)OCC)c1cc(Cl)ccc1C(=O)C1(c2cnoc2)CC1
InChIInChI=1S/C19H21ClN2O4/c1-3-9-22(18(24)25-4-2)16-10-14(20)5-6-15(16)17(23)19(7-8-19)13-11-21-26-12-13/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyVVQNYNDSDKNKBA-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.62
Rot. Bonds7

About ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate

ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate (PubChem CID 70285282) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate.

Molecular Properties

Compound Nameethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate
PubChem CID70285282
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Nameethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate
SMILESCCCN(C(=O)OCC)c1cc(Cl)ccc1C(=O)C1(c2cnoc2)CC1
InChIInChI=1S/C19H21ClN2O4/c1-3-9-22(18(24)25-4-2)16-10-14(20)5-6-15(16)17(23)19(7-8-19)13-11-21-26-12-13/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyVVQNYNDSDKNKBA-UHFFFAOYSA-N
XLogP4.62
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

butyl N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate
CID 22621176
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
ethyl N-(2-carbamoyl-5-chlorophenyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate
CID 19087680
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
4-chloro-2-(dipropylamino)benzoic acid
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diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide
CID 107986331
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116611778
2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
CID 63081456
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
ethyl 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate
CID 79472385

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate?
The IUPAC name of ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate (CID 70285282) is ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate.
What is the SMILES notation for ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate?
The canonical SMILES for ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate is CCCN(C(=O)OCC)c1cc(Cl)ccc1C(=O)C1(c2cnoc2)CC1.
What is the InChIKey of ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate?
The InChIKey is VVQNYNDSDKNKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-3-9-22(18(24)25-4-2)16-10-14(20)5-6-15(16)17(23)19(7-8-19)13-11-21-26-12-13/h5-6,10-12H,3-4,7-9H2,1-2H3.
What are the key properties of ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate?
ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate has a molecular weight of 376.84 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-chloro-2-[1-(1,2-oxazol-4-yl)cyclopropanecarbonyl]phenyl]-N-propylcarbamate is sourced from PubChem (CID 70285282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).