N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C16H18N4O3S — CID 126833053

IUPACN-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(c2csc(C)n2)C(C)O)c2c(C)noc2n1
InChIInChI=1S/C16H18N4O3S/c1-7-5-11(13-8(2)20-23-16(13)17-7)15(22)19-14(9(3)21)12-6-24-10(4)18-12/h5-6,9,14,21H,1-4H3,(H,19,22)
InChIKeyBCNYRACEGKCWKJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.46
Rot. Bonds4

About N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 126833053) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID126833053
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(c2csc(C)n2)C(C)O)c2c(C)noc2n1
InChIInChI=1S/C16H18N4O3S/c1-7-5-11(13-8(2)20-23-16(13)17-7)15(22)19-14(9(3)21)12-6-24-10(4)18-12/h5-6,9,14,21H,1-4H3,(H,19,22)
InChIKeyBCNYRACEGKCWKJ-UHFFFAOYSA-N
XLogP2.46
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 126833053) is N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC(c2csc(C)n2)C(C)O)c2c(C)noc2n1.
What is the InChIKey of N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BCNYRACEGKCWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-7-5-11(13-8(2)20-23-16(13)17-7)15(22)19-14(9(3)21)12-6-24-10(4)18-12/h5-6,9,14,21H,1-4H3,(H,19,22).
What are the key properties of N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 126833053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).