(5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H17N3O4 — CID 40503834

IUPAC(5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccc(C#N)cc3)C2)c1
InChIInChI=1S/C19H17N3O4/c1-24-14-7-8-17(25-2)15(9-14)16-10-18(26-22-16)19(23)21-13-5-3-12(11-20)4-6-13/h3-9,18H,10H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyRVPOSFRNPHPZTD-GOSISDBHSA-N
MW351.36 g/mol
LogP2.71
Rot. Bonds5

About (5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 40503834) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID40503834
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccc(C#N)cc3)C2)c1
InChIInChI=1S/C19H17N3O4/c1-24-14-7-8-17(25-2)15(9-14)16-10-18(26-22-16)19(23)21-13-5-3-12(11-20)4-6-13/h3-9,18H,10H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyRVPOSFRNPHPZTD-GOSISDBHSA-N
XLogP2.71
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619745
N-(4-cyanophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095913
(5R)-N-tert-butyl-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503918
(5S)-3-(2,5-dimethoxyphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503901
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503534
(5S)-N-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503947
(5S)-N-(2-chloro-3-pyridinyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503841
3-(2,5-dimethoxyphenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095866
(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28815180
(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503549
(5R)-3-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503886
3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 40503834) is (5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccc(C#N)cc3)C2)c1.
What is the InChIKey of (5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is RVPOSFRNPHPZTD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-24-14-7-8-17(25-2)15(9-14)16-10-18(26-22-16)19(23)21-13-5-3-12(11-20)4-6-13/h3-9,18H,10H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 40503834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).