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N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide

C18H23N3O3S — CID 118432924

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(C3CC3NCC3CCOCC3)cs2)no1
InChIInChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)16-7-13(10-25-16)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22)
InChIKeyNEEVDAJZAXQIQT-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.17
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide (PubChem CID 118432924) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
PubChem CID118432924
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(C3CC3NCC3CCOCC3)cs2)no1
InChIInChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)16-7-13(10-25-16)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22)
InChIKeyNEEVDAJZAXQIQT-UHFFFAOYSA-N
XLogP3.17
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide (CID 118432924) is N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(C3CC3NCC3CCOCC3)cs2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
The InChIKey is NEEVDAJZAXQIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)16-7-13(10-25-16)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 118432924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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