N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide

C19H21N3O2S — CID 50973272

IUPACN-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
SMILESCc1ccsc1CNc1cccc(C(=O)N(C)C(C)c2ccon2)c1
InChIInChI=1S/C19H21N3O2S/c1-13-8-10-25-18(13)12-20-16-6-4-5-15(11-16)19(23)22(3)14(2)17-7-9-24-21-17/h4-11,14,20H,12H2,1-3H3
InChIKeyQWSCXHCVPGRTRG-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.49
Rot. Bonds6

About N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide

N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide (PubChem CID 50973272) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
PubChem CID50973272
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
SMILESCc1ccsc1CNc1cccc(C(=O)N(C)C(C)c2ccon2)c1
InChIInChI=1S/C19H21N3O2S/c1-13-8-10-25-18(13)12-20-16-6-4-5-15(11-16)19(23)22(3)14(2)17-7-9-24-21-17/h4-11,14,20H,12H2,1-3H3
InChIKeyQWSCXHCVPGRTRG-UHFFFAOYSA-N
XLogP4.49
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide
CID 50982275
2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 72911581
3-(2-aminoethoxy)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 118793692
3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 126452166
3-(cyclopentanecarbonylamino)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 50980547
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 95136559
N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 45191105
N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97209998
2-[(4-methoxyphenyl)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24790227
methyl 4-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43139141
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
The IUPAC name of N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide (CID 50973272) is N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
The canonical SMILES for N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide is Cc1ccsc1CNc1cccc(C(=O)N(C)C(C)c2ccon2)c1.
What is the InChIKey of N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
The InChIKey is QWSCXHCVPGRTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-8-10-25-18(13)12-20-16-6-4-5-15(11-16)19(23)22(3)14(2)17-7-9-24-21-17/h4-11,14,20H,12H2,1-3H3.
What are the key properties of N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide has a molecular weight of 355.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 50973272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).