N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide

C16H15ClN2O2S — CID 75385673

IUPACN-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1nc2ccccc2o1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN2O2S/c1-10(13-7-8-14(17)22-13)16(20)19(2)9-15-18-11-5-3-4-6-12(11)21-15/h3-8,10H,9H2,1-2H3
InChIKeyIJGSNSYCENTGCK-UHFFFAOYSA-N
MW334.83 g/mol
LogP4.30
Rot. Bonds4

About N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide

N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide (PubChem CID 75385673) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
PubChem CID75385673
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1nc2ccccc2o1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN2O2S/c1-10(13-7-8-14(17)22-13)16(20)19(2)9-15-18-11-5-3-4-6-12(11)21-15/h3-8,10H,9H2,1-2H3
InChIKeyIJGSNSYCENTGCK-UHFFFAOYSA-N
XLogP4.30
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 71852224
2-(5-chlorothiophen-2-yl)-N-methylpropanehydrazide
CID 116845748
(1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine
CID 94489500
2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 71914600
N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
CID 119582214
(1R)-1-(1,3-benzothiazol-2-yl)-N-(1,3-benzoxazol-2-ylmethyl)-N-methylethanamine
CID 9048703
2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
CID 71859613
(2R)-2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
CID 97018750
1-(1,3-benzoxazol-2-yl)-3-methylpentan-2-one
CID 43118363
N-(1,3-benzoxazol-2-ylmethyl)-1-(5-bromothiophen-2-yl)-N-methylmethanamine
CID 18094955
2-[1,3-benzoxazol-2-ylmethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425891
2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide
CID 71861310

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide (CID 75385673) is N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide is CC(C(=O)N(C)Cc1nc2ccccc2o1)c1ccc(Cl)s1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide?
The InChIKey is IJGSNSYCENTGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-10(13-7-8-14(17)22-13)16(20)19(2)9-15-18-11-5-3-4-6-12(11)21-15/h3-8,10H,9H2,1-2H3.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide?
N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide has a molecular weight of 334.83 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide is sourced from PubChem (CID 75385673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).