N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide

C19H21N5O3 — CID 139330915

IUPACN-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCOC(C)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1
InChIInChI=1S/C19H21N5O3/c1-11(26-3)19-22-17(23-27-19)13-4-6-15-12(8-13)5-7-16(15)21-18(25)14-9-20-24(2)10-14/h4,6,8-11,16H,5,7H2,1-3H3,(H,21,25)/t11?,16-/m1/s1
InChIKeyNCCUOYRXXYCKDN-WVQRXBFSSA-N
MW367.41 g/mol
LogP2.59
Rot. Bonds5

About N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide

N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 139330915) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
PubChem CID139330915
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCOC(C)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1
InChIInChI=1S/C19H21N5O3/c1-11(26-3)19-22-17(23-27-19)13-4-6-15-12(8-13)5-7-16(15)21-18(25)14-9-20-24(2)10-14/h4,6,8-11,16H,5,7H2,1-3H3,(H,21,25)/t11?,16-/m1/s1
InChIKeyNCCUOYRXXYCKDN-WVQRXBFSSA-N
XLogP2.59
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-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-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (CID 139330915) is N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is COC(C)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1.
What is the InChIKey of N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is NCCUOYRXXYCKDN-WVQRXBFSSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11(26-3)19-22-17(23-27-19)13-4-6-15-12(8-13)5-7-16(15)21-18(25)14-9-20-24(2)10-14/h4,6,8-11,16H,5,7H2,1-3H3,(H,21,25)/t11?,16-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139330915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).