3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide

C16H17N3O3S — CID 110350957

IUPAC3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide
SMILESCC(C)CC(=O)NCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1
InChIInChI=1S/C16H17N3O3S/c1-9(2)5-14(20)17-7-15-18-12(8-23-15)10-3-4-11-13(6-10)22-16(21)19-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyQWPZXAAKNGPBDP-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.91
Rot. Bonds5

About 3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide

3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide (PubChem CID 110350957) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide
PubChem CID110350957
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide
SMILESCC(C)CC(=O)NCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1
InChIInChI=1S/C16H17N3O3S/c1-9(2)5-14(20)17-7-15-18-12(8-23-15)10-3-4-11-13(6-10)22-16(21)19-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyQWPZXAAKNGPBDP-UHFFFAOYSA-N
XLogP2.91
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide with MolForge

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Related Compounds

3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786464
N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]-3-phenylpropanamide
CID 110351082
1-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]-3-phenylurea
CID 110351085
6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 84567419
N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide
CID 110351062
6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688
3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110351076
6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 17456976
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 39072452
5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 98033764
5-[2-(bromomethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116970352
5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116867590

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide?
The IUPAC name of 3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide (CID 110350957) is 3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide?
The canonical SMILES for 3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide is CC(C)CC(=O)NCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1.
What is the InChIKey of 3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide?
The InChIKey is QWPZXAAKNGPBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9(2)5-14(20)17-7-15-18-12(8-23-15)10-3-4-11-13(6-10)22-16(21)19-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of 3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide?
3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide has a molecular weight of 331.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide is sourced from PubChem (CID 110350957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).