5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane

C26H29F4N3O4 — CID 144949503

IUPAC5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane
SMILESCC.NCc1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C24H23F4N3O4.C2H6/c25-16-5-3-14(17(26)10-16)7-8-30-22(32)21-20(11-29)34-23(31-21)15-4-6-18(35-24(27)28)19(9-15)33-12-13-1-2-13;1-2/h3-6,9-10,13,24H,1-2,7-8,11-12,29H2,(H,30,32);1-2H3
InChIKeyCUNMVRSBKJLFGZ-UHFFFAOYSA-N
MW523.53 g/mol
LogP5.47
Rot. Bonds11

About 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane

5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane (PubChem CID 144949503) has the molecular formula C26H29F4N3O4 and a molecular weight of 523.53 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane.

Molecular Properties

Compound Name5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane
PubChem CID144949503
Molecular FormulaC26H29F4N3O4
Molecular Weight523.53 g/mol
Exact Mass523.21
IUPAC Name5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane
SMILESCC.NCc1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C24H23F4N3O4.C2H6/c25-16-5-3-14(17(26)10-16)7-8-30-22(32)21-20(11-29)34-23(31-21)15-4-6-18(35-24(27)28)19(9-15)33-12-13-1-2-13;1-2/h3-6,9-10,13,24H,1-2,7-8,11-12,29H2,(H,30,32);1-2H3
InChIKeyCUNMVRSBKJLFGZ-UHFFFAOYSA-N
XLogP5.47
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.53
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane?
The IUPAC name of 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane (CID 144949503) is 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane.
What is the SMILES notation for 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane?
The canonical SMILES for 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane is CC.NCc1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NCCc1ccc(F)cc1F.
What is the InChIKey of 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane?
The InChIKey is CUNMVRSBKJLFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O4.C2H6/c25-16-5-3-14(17(26)10-16)7-8-30-22(32)21-20(11-29)34-23(31-21)15-4-6-18(35-24(27)28)19(9-15)33-12-13-1-2-13;1-2/h3-6,9-10,13,24H,1-2,7-8,11-12,29H2,(H,30,32);1-2H3.
What are the key properties of 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane?
5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane has a molecular weight of 523.53 g/mol, XLogP of 5.47, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(2,4-difluorophenyl)ethyl]-1,3-oxazole-4-carboxamide;ethane is sourced from PubChem (CID 144949503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).