3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide

C27H24N6O5 — CID 142716903

IUPAC3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC2(C(=O)NCc3ccc(-n4c(-c5onnc5C)cc5ccccc54)cc3)CC2)on1
InChIInChI=1S/C27H24N6O5/c1-16-24(38-32-30-16)21-13-18-5-3-4-6-20(18)33(21)19-9-7-17(8-10-19)15-28-26(35)27(11-12-27)29-25(34)22-14-23(36-2)31-37-22/h3-10,13-14H,11-12,15H2,1-2H3,(H,28,35)(H,29,34)
InChIKeyAZXYPFNRFWDIAP-UHFFFAOYSA-N
MW512.53 g/mol
LogP3.56
Rot. Bonds8

About 3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide

3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide (PubChem CID 142716903) has the molecular formula C27H24N6O5 and a molecular weight of 512.53 g/mol. Its IUPAC name is 3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide
PubChem CID142716903
Molecular FormulaC27H24N6O5
Molecular Weight512.53 g/mol
Exact Mass512.18
IUPAC Name3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC2(C(=O)NCc3ccc(-n4c(-c5onnc5C)cc5ccccc54)cc3)CC2)on1
InChIInChI=1S/C27H24N6O5/c1-16-24(38-32-30-16)21-13-18-5-3-4-6-20(18)33(21)19-9-7-17(8-10-19)15-28-26(35)27(11-12-27)29-25(34)22-14-23(36-2)31-37-22/h3-10,13-14H,11-12,15H2,1-2H3,(H,28,35)(H,29,34)
InChIKeyAZXYPFNRFWDIAP-UHFFFAOYSA-N
XLogP3.56
TPSA137.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide 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 3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide (CID 142716903) is 3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC2(C(=O)NCc3ccc(-n4c(-c5onnc5C)cc5ccccc54)cc3)CC2)on1.
What is the InChIKey of 3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide?
The InChIKey is AZXYPFNRFWDIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O5/c1-16-24(38-32-30-16)21-13-18-5-3-4-6-20(18)33(21)19-9-7-17(8-10-19)15-28-26(35)27(11-12-27)29-25(34)22-14-23(36-2)31-37-22/h3-10,13-14H,11-12,15H2,1-2H3,(H,28,35)(H,29,34).
What are the key properties of 3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide has a molecular weight of 512.53 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[[4-[2-(4-methyloxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 142716903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).