N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide

C18H22N2O4S — CID 20860089

IUPACN-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(-c2nc(CSCC(=O)NC3CC3)c(C)o2)cc1OC
InChIInChI=1S/C18H22N2O4S/c1-11-14(9-25-10-17(21)19-13-5-6-13)20-18(24-11)12-4-7-15(22-2)16(8-12)23-3/h4,7-8,13H,5-6,9-10H2,1-3H3,(H,19,21)
InChIKeyBDTLOVFTFCJDNP-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.18
Rot. Bonds8

About N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide

N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide (PubChem CID 20860089) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
PubChem CID20860089
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(-c2nc(CSCC(=O)NC3CC3)c(C)o2)cc1OC
InChIInChI=1S/C18H22N2O4S/c1-11-14(9-25-10-17(21)19-13-5-6-13)20-18(24-11)12-4-7-15(22-2)16(8-12)23-3/h4,7-8,13H,5-6,9-10H2,1-3H3,(H,19,21)
InChIKeyBDTLOVFTFCJDNP-UHFFFAOYSA-N
XLogP3.18
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide (CID 20860089) is N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide is COc1ccc(-c2nc(CSCC(=O)NC3CC3)c(C)o2)cc1OC.
What is the InChIKey of N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is BDTLOVFTFCJDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-11-14(9-25-10-17(21)19-13-5-6-13)20-18(24-11)12-4-7-15(22-2)16(8-12)23-3/h4,7-8,13H,5-6,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 20860089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).