5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide

C19H20N4O2S — CID 56858114

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1csc(CNC(=O)c2cc(CN3CCc4ccccc4C3)on2)n1
InChIInChI=1S/C19H20N4O2S/c1-13-12-26-18(21-13)9-20-19(24)17-8-16(25-22-17)11-23-7-6-14-4-2-3-5-15(14)10-23/h2-5,8,12H,6-7,9-11H2,1H3,(H,20,24)
InChIKeyLNJDZYGZJYUMQK-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.93
Rot. Bonds5

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

5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 56858114) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID56858114
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1csc(CNC(=O)c2cc(CN3CCc4ccccc4C3)on2)n1
InChIInChI=1S/C19H20N4O2S/c1-13-12-26-18(21-13)9-20-19(24)17-8-16(25-22-17)11-23-7-6-14-4-2-3-5-15(14)10-23/h2-5,8,12H,6-7,9-11H2,1H3,(H,20,24)
InChIKeyLNJDZYGZJYUMQK-UHFFFAOYSA-N
XLogP2.93
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397824
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 26408757
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 39159965
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 31017135
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51291464
N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51328953
[(3S)-3-(diethylamino)pyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazol-3-yl]methanone
CID 95202918
6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 55052730
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 30176535
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56706860
5-[(4-hydroxypiperidin-1-yl)methyl]-N-(quinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56721841
5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 42096928

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 56858114) is 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1csc(CNC(=O)c2cc(CN3CCc4ccccc4C3)on2)n1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LNJDZYGZJYUMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13-12-26-18(21-13)9-20-19(24)17-8-16(25-22-17)11-23-7-6-14-4-2-3-5-15(14)10-23/h2-5,8,12H,6-7,9-11H2,1H3,(H,20,24).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56858114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).