5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide

C37H33N3O3 — CID 142162147

IUPAC5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
SMILESCN(C)c1ccc(-c2oc(-c3ccccc3-c3ccccc3)nc2C(=O)NC2=CC(OCc3ccccc3)=CCC2)cc1
InChIInChI=1S/C37H33N3O3/c1-40(2)30-22-20-28(21-23-30)35-34(39-37(43-35)33-19-10-9-18-32(33)27-14-7-4-8-15-27)36(41)38-29-16-11-17-31(24-29)42-25-26-12-5-3-6-13-26/h3-10,12-15,17-24H,11,16,25H2,1-2H3,(H,38,41)
InChIKeyBVXIDGPNADJBGI-UHFFFAOYSA-N
MW567.69 g/mol
LogP8.25
Rot. Bonds9

About 5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide

5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 142162147) has the molecular formula C37H33N3O3 and a molecular weight of 567.69 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID142162147
Molecular FormulaC37H33N3O3
Molecular Weight567.69 g/mol
Exact Mass567.25
IUPAC Name5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
SMILESCN(C)c1ccc(-c2oc(-c3ccccc3-c3ccccc3)nc2C(=O)NC2=CC(OCc3ccccc3)=CCC2)cc1
InChIInChI=1S/C37H33N3O3/c1-40(2)30-22-20-28(21-23-30)35-34(39-37(43-35)33-19-10-9-18-32(33)27-14-7-4-8-15-27)36(41)38-29-16-11-17-31(24-29)42-25-26-12-5-3-6-13-26/h3-10,12-15,17-24H,11,16,25H2,1-2H3,(H,38,41)
InChIKeyBVXIDGPNADJBGI-UHFFFAOYSA-N
XLogP8.25
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.69
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide (CID 142162147) is 5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide is CN(C)c1ccc(-c2oc(-c3ccccc3-c3ccccc3)nc2C(=O)NC2=CC(OCc3ccccc3)=CCC2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BVXIDGPNADJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N3O3/c1-40(2)30-22-20-28(21-23-30)35-34(39-37(43-35)33-19-10-9-18-32(33)27-14-7-4-8-15-27)36(41)38-29-16-11-17-31(24-29)42-25-26-12-5-3-6-13-26/h3-10,12-15,17-24H,11,16,25H2,1-2H3,(H,38,41).
What are the key properties of 5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 567.69 g/mol, XLogP of 8.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-N-(3-phenylmethoxycyclohexa-1,3-dien-1-yl)-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142162147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).