2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide

C23H27N7O3S — CID 146614797

IUPAC2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCCCC1)c1csc(C2C=CNN2)n1
InChIInChI=1S/C23H27N7O3S/c31-21(18-14-34-22(26-18)15-4-5-24-28-15)25-16-13-20-17(12-19(16)29-6-2-1-3-7-29)27-23(33-20)30-8-10-32-11-9-30/h4-5,12-15,24,28H,1-3,6-11H2,(H,25,31)
InChIKeyQWBQLWNCEJEKBW-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.03
Rot. Bonds5

About 2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide (PubChem CID 146614797) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide
PubChem CID146614797
Molecular FormulaC23H27N7O3S
Molecular Weight481.58 g/mol
Exact Mass481.19
IUPAC Name2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCCCC1)c1csc(C2C=CNN2)n1
InChIInChI=1S/C23H27N7O3S/c31-21(18-14-34-22(26-18)15-4-5-24-28-15)25-16-13-20-17(12-19(16)29-6-2-1-3-7-29)27-23(33-20)30-8-10-32-11-9-30/h4-5,12-15,24,28H,1-3,6-11H2,(H,25,31)
InChIKeyQWBQLWNCEJEKBW-UHFFFAOYSA-N
XLogP3.03
TPSA107.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 126511342
N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 126511290
2-bromo-N-[4-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-1,3-thiazole-4-carboxamide
CID 137370782
N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155751824
N-(2-morpholin-4-ylphenyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3283646
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide;sulfane
CID 160845797
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209198
N-(2-morpholin-4-ylphenyl)-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59208629
2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59210146
2-(4-hexanoylcyclohexyl)-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71025985
2-[1-(3-cyclopropylpropanethioyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59210075
N-[4-(2-morpholin-4-ylethylamino)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 137370909

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide (CID 146614797) is 2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCCCC1)c1csc(C2C=CNN2)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QWBQLWNCEJEKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3S/c31-21(18-14-34-22(26-18)15-4-5-24-28-15)25-16-13-20-17(12-19(16)29-6-2-1-3-7-29)27-23(33-20)30-8-10-32-11-9-30/h4-5,12-15,24,28H,1-3,6-11H2,(H,25,31).
What are the key properties of 2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-pyrazol-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146614797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).