N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C21H22N4O4 — CID 177272967

IUPACN-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESN#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cc3n(n1)CC(COCC1CC1)O3)CO2
InChIInChI=1S/C21H22N4O4/c22-8-14-3-4-19-15(5-14)6-16(11-28-19)23-21(26)18-7-20-25(24-18)9-17(29-20)12-27-10-13-1-2-13/h3-5,7,13,16-17H,1-2,6,9-12H2,(H,23,26)/t16-,17?/m1/s1
InChIKeyQLJOEQNUMSQFPQ-TZHYSIJRSA-N
MW394.43 g/mol
LogP1.68
Rot. Bonds6

About N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 177272967) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID177272967
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESN#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cc3n(n1)CC(COCC1CC1)O3)CO2
InChIInChI=1S/C21H22N4O4/c22-8-14-3-4-19-15(5-14)6-16(11-28-19)23-21(26)18-7-20-25(24-18)9-17(29-20)12-27-10-13-1-2-13/h3-5,7,13,16-17H,1-2,6,9-12H2,(H,23,26)/t16-,17?/m1/s1
InChIKeyQLJOEQNUMSQFPQ-TZHYSIJRSA-N
XLogP1.68
TPSA98.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-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 N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 177272967) is N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cc3n(n1)CC(COCC1CC1)O3)CO2.
What is the InChIKey of N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is QLJOEQNUMSQFPQ-TZHYSIJRSA-N. The full InChI is InChI=1S/C21H22N4O4/c22-8-14-3-4-19-15(5-14)6-16(11-28-19)23-21(26)18-7-20-25(24-18)9-17(29-20)12-27-10-13-1-2-13/h3-5,7,13,16-17H,1-2,6,9-12H2,(H,23,26)/t16-,17?/m1/s1.
What are the key properties of N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 177272967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).