N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C16H17N3O2S — CID 97235757

IUPACN-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@@H](C)c2nc3ccccc3s2)o1
InChIInChI=1S/C16H17N3O2S/c1-9(16-19-12-6-4-5-7-13(12)22-16)8-17-15(20)14-10(2)18-11(3)21-14/h4-7,9H,8H2,1-3H3,(H,17,20)/t9-/m1/s1
InChIKeyURRKYCUGFQCQGG-SECBINFHSA-N
MW315.40 g/mol
LogP3.43
Rot. Bonds4

About N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 97235757) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID97235757
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@@H](C)c2nc3ccccc3s2)o1
InChIInChI=1S/C16H17N3O2S/c1-9(16-19-12-6-4-5-7-13(12)22-16)8-17-15(20)14-10(2)18-11(3)21-14/h4-7,9H,8H2,1-3H3,(H,17,20)/t9-/m1/s1
InChIKeyURRKYCUGFQCQGG-SECBINFHSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)propyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 49312578
N-[2-(1,3-benzothiazol-2-yl)propyl]-6-chloropyridine-3-carboxamide
CID 86858161
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-methylsulfonylpropanamide
CID 86858216
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86858173
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-methyl-4-nitrobenzamide
CID 86858155
(Z)-N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 97456571
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 51127257
(1S)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 97019867
(1R)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 97019865
N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86860575
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 86858105
N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86860599

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 97235757) is N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC[C@@H](C)c2nc3ccccc3s2)o1.
What is the InChIKey of N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is URRKYCUGFQCQGG-SECBINFHSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-9(16-19-12-6-4-5-7-13(12)22-16)8-17-15(20)14-10(2)18-11(3)21-14/h4-7,9H,8H2,1-3H3,(H,17,20)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 97235757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).