N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide

C16H20N2O4S — CID 91779274

IUPACN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)NC(c2cccs2)C2CC(O)C2)noc1C
InChIInChI=1S/C16H20N2O4S/c1-9-12(8-21-2)15(18-22-9)16(20)17-14(10-6-11(19)7-10)13-4-3-5-23-13/h3-5,10-11,14,19H,6-8H2,1-2H3,(H,17,20)
InChIKeyDPDWIZNXIYMDLV-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.43
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 91779274) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID91779274
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)NC(c2cccs2)C2CC(O)C2)noc1C
InChIInChI=1S/C16H20N2O4S/c1-9-12(8-21-2)15(18-22-9)16(20)17-14(10-6-11(19)7-10)13-4-3-5-23-13/h3-5,10-11,14,19H,6-8H2,1-2H3,(H,17,20)
InChIKeyDPDWIZNXIYMDLV-UHFFFAOYSA-N
XLogP2.43
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91797284
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 91772790
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91779224
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 91796184
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide
CID 91776302
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 91793745
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
CID 91795005
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
CID 91764411
5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide
CID 91782379
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide
CID 91778738
5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 91795552
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 91782926

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 91779274) is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide is COCc1c(C(=O)NC(c2cccs2)C2CC(O)C2)noc1C.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is DPDWIZNXIYMDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-9-12(8-21-2)15(18-22-9)16(20)17-14(10-6-11(19)7-10)13-4-3-5-23-13/h3-5,10-11,14,19H,6-8H2,1-2H3,(H,17,20).
What are the key properties of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91779274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).