N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide

C20H21N3O2S — CID 3224602

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide
SMILESCc1ccc2c3c(c(SCC(=O)Nc4cc(C)on4)nc2c1)CCCC3
InChIInChI=1S/C20H21N3O2S/c1-12-7-8-15-14-5-3-4-6-16(14)20(21-17(15)9-12)26-11-19(24)22-18-10-13(2)25-23-18/h7-10H,3-6,11H2,1-2H3,(H,22,23,24)
InChIKeyYYRPFJKAKLDKRD-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.45
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide (PubChem CID 3224602) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide
PubChem CID3224602
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide
SMILESCc1ccc2c3c(c(SCC(=O)Nc4cc(C)on4)nc2c1)CCCC3
InChIInChI=1S/C20H21N3O2S/c1-12-7-8-15-14-5-3-4-6-16(14)20(21-17(15)9-12)26-11-19(24)22-18-10-13(2)25-23-18/h7-10H,3-6,11H2,1-2H3,(H,22,23,24)
InChIKeyYYRPFJKAKLDKRD-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium
CID 7588210
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799430
N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 40518827
2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 648574
2-(2-amino-4-methylphenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43302530
2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid
CID 126458315
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7587911
N-(2,5-dimethylphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26500071
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
CID 1442803
2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2563112
N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 7587777

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide (CID 3224602) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide is Cc1ccc2c3c(c(SCC(=O)Nc4cc(C)on4)nc2c1)CCCC3.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide?
The InChIKey is YYRPFJKAKLDKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12-7-8-15-14-5-3-4-6-16(14)20(21-17(15)9-12)26-11-19(24)22-18-10-13(2)25-23-18/h7-10H,3-6,11H2,1-2H3,(H,22,23,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 3224602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).