N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

C18H21N3O2S — CID 71869008

IUPACN-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCOc1cccc(-c2cnc(CNC(C)(C)c3nc(C)cs3)o2)c1
InChIInChI=1S/C18H21N3O2S/c1-12-11-24-17(21-12)18(2,3)20-10-16-19-9-15(23-16)13-6-5-7-14(8-13)22-4/h5-9,11,20H,10H2,1-4H3
InChIKeyRTBRINWXZVBBDZ-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.14
Rot. Bonds6

About N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 71869008) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID71869008
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCOc1cccc(-c2cnc(CNC(C)(C)c3nc(C)cs3)o2)c1
InChIInChI=1S/C18H21N3O2S/c1-12-11-24-17(21-12)18(2,3)20-10-16-19-9-15(23-16)13-6-5-7-14(8-13)22-4/h5-9,11,20H,10H2,1-4H3
InChIKeyRTBRINWXZVBBDZ-UHFFFAOYSA-N
XLogP4.14
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)oxazole-2-carboxamide
CID 76145348
2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine
CID 71868998
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71869006
5-phenyl-N-((2-phenylthiazol-4-yl)methyl)oxazole-2-carboxamide
CID 76145312
2-[[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16603689
5-(4-Fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole
CID 47009414
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-5-phenyl-1,3-oxazole
CID 101578961
2-[[2-(4-Ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16603650
[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16605292
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 24668994
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 24668995
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 29527822

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 71869008) is N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is COc1cccc(-c2cnc(CNC(C)(C)c3nc(C)cs3)o2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is RTBRINWXZVBBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-11-24-17(21-12)18(2,3)20-10-16-19-9-15(23-16)13-6-5-7-14(8-13)22-4/h5-9,11,20H,10H2,1-4H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 343.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 71869008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).