[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate

C24H23F2N3O6 — CID 174983024

IUPAC[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate
SMILESCOc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(COC(N)=O)o2)cc1OCC1CC1
InChIInChI=1S/C24H23F2N3O6/c1-32-18-7-5-14(8-19(18)33-11-13-2-3-13)23-29-21(20(35-23)12-34-24(27)31)22(30)28-10-15-4-6-16(25)9-17(15)26/h4-9,13H,2-3,10-12H2,1H3,(H2,27,31)(H,28,30)
InChIKeyHMCWFLVQLFXBLG-UHFFFAOYSA-N
MW487.46 g/mol
LogP3.94
Rot. Bonds10

About [2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate

[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate (PubChem CID 174983024) has the molecular formula C24H23F2N3O6 and a molecular weight of 487.46 g/mol. Its IUPAC name is [2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate
PubChem CID174983024
Molecular FormulaC24H23F2N3O6
Molecular Weight487.46 g/mol
Exact Mass487.16
IUPAC Name[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate
SMILESCOc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(COC(N)=O)o2)cc1OCC1CC1
InChIInChI=1S/C24H23F2N3O6/c1-32-18-7-5-14(8-19(18)33-11-13-2-3-13)23-29-21(20(35-23)12-34-24(27)31)22(30)28-10-15-4-6-16(25)9-17(15)26/h4-9,13H,2-3,10-12H2,1H3,(H2,27,31)(H,28,30)
InChIKeyHMCWFLVQLFXBLG-UHFFFAOYSA-N
XLogP3.94
TPSA125.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 118475895
5-(1-aminoethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 174981278
5-(aminomethyl)-2-(3-butoxy-4-methoxyphenyl)-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 144949424
5-(aminomethyl)-2-(3,4-diethoxyphenyl)-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 144949409
5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(2,2-difluoroethoxy)phenyl]-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 175332360
5-(aminomethyl)-2-(3,4-diethoxyphenyl)-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide;ethane
CID 144949408
5-(1-azidoethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 175332114
5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane
CID 144949503
1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-thiazol-5-yl]ethyl carbamate
CID 174982982
[2-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-thiazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate
CID 174982924
5-(1-aminoethyl)-2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3,5-dichloro-4-pyridinyl)methyl]-1,3-oxazole-4-carboxamide
CID 174983120
1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate
CID 174981701

Frequently Asked Questions

What is the IUPAC name of [2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate?
The IUPAC name of [2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate (CID 174983024) is [2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate.
What is the SMILES notation for [2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate?
The canonical SMILES for [2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate is COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(COC(N)=O)o2)cc1OCC1CC1.
What is the InChIKey of [2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate?
The InChIKey is HMCWFLVQLFXBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O6/c1-32-18-7-5-14(8-19(18)33-11-13-2-3-13)23-29-21(20(35-23)12-34-24(27)31)22(30)28-10-15-4-6-16(25)9-17(15)26/h4-9,13H,2-3,10-12H2,1H3,(H2,27,31)(H,28,30).
What are the key properties of [2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate?
[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate has a molecular weight of 487.46 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate is sourced from PubChem (CID 174983024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).