N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide

C15H19N3O2S — CID 82896929

IUPACN-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)C3CSCCN3)ccc2o1
InChIInChI=1S/C15H19N3O2S/c1-9(2)15-18-11-7-10(3-4-13(11)20-15)17-14(19)12-8-21-6-5-16-12/h3-4,7,9,12,16H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyQGCGZORYCVPDEW-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.59
Rot. Bonds3

About N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide

N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide (PubChem CID 82896929) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide
PubChem CID82896929
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)C3CSCCN3)ccc2o1
InChIInChI=1S/C15H19N3O2S/c1-9(2)15-18-11-7-10(3-4-13(11)20-15)17-14(19)12-8-21-6-5-16-12/h3-4,7,9,12,16H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyQGCGZORYCVPDEW-UHFFFAOYSA-N
XLogP2.59
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide
CID 167806781
4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46460476
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
CID 82906459
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride
CID 119893468
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 47055287
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide (CID 82896929) is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide is CC(C)c1nc2cc(NC(=O)C3CSCCN3)ccc2o1.
What is the InChIKey of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide?
The InChIKey is QGCGZORYCVPDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9(2)15-18-11-7-10(3-4-13(11)20-15)17-14(19)12-8-21-6-5-16-12/h3-4,7,9,12,16H,5-6,8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide?
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82896929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).