N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide

C21H21N3O3S — CID 97318846

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCc1sc(NC(=O)c2ncoc2[C@H]2CCCO2)nc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C21H21N3O3S/c1-12-17(15-8-7-13-4-2-5-14(13)10-15)23-21(28-12)24-20(25)18-19(27-11-22-18)16-6-3-9-26-16/h7-8,10-11,16H,2-6,9H2,1H3,(H,23,24,25)/t16-/m1/s1
InChIKeyFJAXRWWBUNCNAY-MRXNPFEDSA-N
MW395.48 g/mol
LogP4.70
Rot. Bonds4

About N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide

N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 97318846) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID97318846
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCc1sc(NC(=O)c2ncoc2[C@H]2CCCO2)nc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C21H21N3O3S/c1-12-17(15-8-7-13-4-2-5-14(13)10-15)23-21(28-12)24-20(25)18-19(27-11-22-18)16-6-3-9-26-16/h7-8,10-11,16H,2-6,9H2,1H3,(H,23,24,25)/t16-/m1/s1
InChIKeyFJAXRWWBUNCNAY-MRXNPFEDSA-N
XLogP4.70
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 95351348
(2S,5R)-5-(aminomethyl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120792190
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 18272025
(2S)-N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27233014
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774673
(2R)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27234089
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 154862079
[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669
5-(oxolan-2-yl)-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide
CID 102561331
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2970872
N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 96551183

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (CID 97318846) is N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide is Cc1sc(NC(=O)c2ncoc2[C@H]2CCCO2)nc1-c1ccc2c(c1)CCC2.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is FJAXRWWBUNCNAY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-12-17(15-8-7-13-4-2-5-14(13)10-15)23-21(28-12)24-20(25)18-19(27-11-22-18)16-6-3-9-26-16/h7-8,10-11,16H,2-6,9H2,1H3,(H,23,24,25)/t16-/m1/s1.
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 97318846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).