N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C17H14N4O2S — CID 17414450

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C17H14N4O2S/c1-9-15(10(2)23-21-9)16(22)20-17-19-14(8-24-17)12-7-18-13-6-4-3-5-11(12)13/h3-8,18H,1-2H3,(H,19,20,22)
InChIKeyDOKBCMWQZVUAMX-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.15
Rot. Bonds3

About N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 17414450) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID17414450
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C17H14N4O2S/c1-9-15(10(2)23-21-9)16(22)20-17-19-14(8-24-17)12-7-18-13-6-4-3-5-11(12)13/h3-8,18H,1-2H3,(H,19,20,22)
InChIKeyDOKBCMWQZVUAMX-UHFFFAOYSA-N
XLogP4.15
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 17414450) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is DOKBCMWQZVUAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-9-15(10(2)23-21-9)16(22)20-17-19-14(8-24-17)12-7-18-13-6-4-3-5-11(12)13/h3-8,18H,1-2H3,(H,19,20,22).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17414450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).