(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide

C16H17N3O3S — CID 94783798

IUPAC(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSC[C@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C16H17N3O3S/c1-9(20)19-8-23-7-13(19)15(21)17-11-4-5-14-12(6-11)18-16(22-14)10-2-3-10/h4-6,10,13H,2-3,7-8H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyQAHKTJBNUNOOKG-ZDUSSCGKSA-N
MW331.40 g/mol
LogP2.57
Rot. Bonds3

About (4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide

(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 94783798) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is (4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID94783798
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSC[C@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C16H17N3O3S/c1-9(20)19-8-23-7-13(19)15(21)17-11-4-5-14-12(6-11)18-16(22-14)10-2-3-10/h4-6,10,13H,2-3,7-8H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyQAHKTJBNUNOOKG-ZDUSSCGKSA-N
XLogP2.57
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166410997
(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 94146559
3-benzoyl-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 55620356
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
CID 71940384
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-nitrocyclopropane-1-carboxamide
CID 51117633
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide
CID 79285004
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727

Frequently Asked Questions

What is the IUPAC name of (4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide (CID 94783798) is (4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1CSC[C@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of (4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QAHKTJBNUNOOKG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9(20)19-8-23-7-13(19)15(21)17-11-4-5-14-12(6-11)18-16(22-14)10-2-3-10/h4-6,10,13H,2-3,7-8H2,1H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 94783798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).