N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C11H11N3O2S — CID 17254539

IUPACN-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1noc2c1CCCC2
InChIInChI=1S/C11H11N3O2S/c15-10(13-11-12-5-6-17-11)9-7-3-1-2-4-8(7)16-14-9/h5-6H,1-4H2,(H,12,13,15)
InChIKeyNMYUANZKQFRHKJ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.26
Rot. Bonds2

About N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 17254539) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID17254539
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC NameN-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1noc2c1CCCC2
InChIInChI=1S/C11H11N3O2S/c15-10(13-11-12-5-6-17-11)9-7-3-1-2-4-8(7)16-14-9/h5-6H,1-4H2,(H,12,13,15)
InChIKeyNMYUANZKQFRHKJ-UHFFFAOYSA-N
XLogP2.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3241508
N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254493
2-[3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)-1,2,4-triazol-1-yl]acetic acid
CID 138002058
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3245435
N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254536
N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5307719
N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 126839469
N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 17254362
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 91787820
N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3359610
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 17254539) is N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(Nc1nccs1)c1noc2c1CCCC2.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is NMYUANZKQFRHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-10(13-11-12-5-6-17-11)9-7-3-1-2-4-8(7)16-14-9/h5-6H,1-4H2,(H,12,13,15).
What are the key properties of N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 249.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 17254539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).