1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate

C24H21F4N3O6 — CID 174981701

IUPAC1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate
SMILESCC(OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C24H21F4N3O6/c1-11(35-24(29)33)20-19(21(32)30-16-6-5-14(25)9-15(16)26)31-22(37-20)13-4-7-17(36-23(27)28)18(8-13)34-10-12-2-3-12/h4-9,11-12,23H,2-3,10H2,1H3,(H2,29,33)(H,30,32)
InChIKeyKMYGDHDXRPITTI-UHFFFAOYSA-N
MW523.44 g/mol
LogP5.42
Rot. Bonds10

About 1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate

1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate (PubChem CID 174981701) has the molecular formula C24H21F4N3O6 and a molecular weight of 523.44 g/mol. Its IUPAC name is 1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate.

Molecular Properties

Compound Name1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate
PubChem CID174981701
Molecular FormulaC24H21F4N3O6
Molecular Weight523.44 g/mol
Exact Mass523.14
IUPAC Name1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate
SMILESCC(OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C24H21F4N3O6/c1-11(35-24(29)33)20-19(21(32)30-16-6-5-14(25)9-15(16)26)31-22(37-20)13-4-7-17(36-23(27)28)18(8-13)34-10-12-2-3-12/h4-9,11-12,23H,2-3,10H2,1H3,(H2,29,33)(H,30,32)
InChIKeyKMYGDHDXRPITTI-UHFFFAOYSA-N
XLogP5.42
TPSA125.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.44
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate?
The IUPAC name of 1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate (CID 174981701) is 1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate.
What is the SMILES notation for 1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate?
The canonical SMILES for 1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate is CC(OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate?
The InChIKey is KMYGDHDXRPITTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O6/c1-11(35-24(29)33)20-19(21(32)30-16-6-5-14(25)9-15(16)26)31-22(37-20)13-4-7-17(36-23(27)28)18(8-13)34-10-12-2-3-12/h4-9,11-12,23H,2-3,10H2,1H3,(H2,29,33)(H,30,32).
What are the key properties of 1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate?
1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate has a molecular weight of 523.44 g/mol, XLogP of 5.42, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate is sourced from PubChem (CID 174981701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).