3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

C17H17N3O3S — CID 2968084

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C17H17N3O3S/c21-15(19-16-18-11-5-1-4-8-14(11)24-16)9-10-20-12-6-2-3-7-13(12)23-17(20)22/h2-3,6-7H,1,4-5,8-10H2,(H,18,19,21)
InChIKeyPABQHBVLAKXDHA-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.96
Rot. Bonds4

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 2968084) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID2968084
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C17H17N3O3S/c21-15(19-16-18-11-5-1-4-8-14(11)24-16)9-10-20-12-6-2-3-7-13(12)23-17(20)22/h2-3,6-7H,1,4-5,8-10H2,(H,18,19,21)
InChIKeyPABQHBVLAKXDHA-UHFFFAOYSA-N
XLogP2.96
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 2968084) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is PABQHBVLAKXDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-15(19-16-18-11-5-1-4-8-14(11)24-16)9-10-20-12-6-2-3-7-13(12)23-17(20)22/h2-3,6-7H,1,4-5,8-10H2,(H,18,19,21).
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 343.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 2968084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).