N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide

C19H24N4O3S — CID 72879673

IUPACN-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc2cc(OCc3nc(C(=O)NCC(C)CN(C)C)co3)ccc2s1
InChIInChI=1S/C19H24N4O3S/c1-12(9-23(3)4)8-20-19(24)16-10-26-18(22-16)11-25-14-5-6-17-15(7-14)21-13(2)27-17/h5-7,10,12H,8-9,11H2,1-4H3,(H,20,24)
InChIKeyANUNUALYUSDREQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.10
Rot. Bonds8

About N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide

N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide (PubChem CID 72879673) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
PubChem CID72879673
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc2cc(OCc3nc(C(=O)NCC(C)CN(C)C)co3)ccc2s1
InChIInChI=1S/C19H24N4O3S/c1-12(9-23(3)4)8-20-19(24)16-10-26-18(22-16)11-25-14-5-6-17-15(7-14)21-13(2)27-17/h5-7,10,12H,8-9,11H2,1-4H3,(H,20,24)
InChIKeyANUNUALYUSDREQ-UHFFFAOYSA-N
XLogP3.10
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide (CID 72879673) is N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide is Cc1nc2cc(OCc3nc(C(=O)NCC(C)CN(C)C)co3)ccc2s1.
What is the InChIKey of N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ANUNUALYUSDREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-12(9-23(3)4)8-20-19(24)16-10-26-18(22-16)11-25-14-5-6-17-15(7-14)21-13(2)27-17/h5-7,10,12H,8-9,11H2,1-4H3,(H,20,24).
What are the key properties of N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide?
N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72879673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).