2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide

C22H27N3O3S — CID 141435391

IUPAC2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide
SMILESCOc1cc(C(CC(C)C)(NCc2sccc2C)C(N)=O)ccc1-c1cnco1
InChIInChI=1S/C22H27N3O3S/c1-14(2)10-22(21(23)26,25-12-20-15(3)7-8-29-20)16-5-6-17(18(9-16)27-4)19-11-24-13-28-19/h5-9,11,13-14,25H,10,12H2,1-4H3,(H2,23,26)
InChIKeyNCGMLRMHTQRSIG-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.24
Rot. Bonds9

About 2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide

2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide (PubChem CID 141435391) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide.

Molecular Properties

Compound Name2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide
PubChem CID141435391
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide
SMILESCOc1cc(C(CC(C)C)(NCc2sccc2C)C(N)=O)ccc1-c1cnco1
InChIInChI=1S/C22H27N3O3S/c1-14(2)10-22(21(23)26,25-12-20-15(3)7-8-29-20)16-5-6-17(18(9-16)27-4)19-11-24-13-28-19/h5-9,11,13-14,25H,10,12H2,1-4H3,(H2,23,26)
InChIKeyNCGMLRMHTQRSIG-UHFFFAOYSA-N
XLogP4.24
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide with MolForge

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Related Compounds

ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate
CID 57212468
3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid
CID 23577995
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-(3-methylbutyl)oxamide
CID 20766963
ethane;5-(2-methoxy-4-methylphenyl)-1,3-oxazole
CID 143041662
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 121363306
1-carbamoyloxybutan-2-yl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343102
2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine
CID 118864273
2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 144773668
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-nitrophenyl)urea
CID 15462733
2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide
CID 121363401

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide?
The IUPAC name of 2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide (CID 141435391) is 2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide.
What is the SMILES notation for 2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide?
The canonical SMILES for 2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide is COc1cc(C(CC(C)C)(NCc2sccc2C)C(N)=O)ccc1-c1cnco1.
What is the InChIKey of 2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide?
The InChIKey is NCGMLRMHTQRSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-14(2)10-22(21(23)26,25-12-20-15(3)7-8-29-20)16-5-6-17(18(9-16)27-4)19-11-24-13-28-19/h5-9,11,13-14,25H,10,12H2,1-4H3,(H2,23,26).
What are the key properties of 2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide?
2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide has a molecular weight of 413.54 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide is sourced from PubChem (CID 141435391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).