(2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide

C19H24N4O3S — CID 129344220

IUPAC(2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide
SMILESCC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)Nc1nocc1C)CC2
InChIInChI=1S/C19H24N4O3S/c1-13-11-26-21-17(13)20-18(25)22-6-4-19(5-7-22)9-16(19)23(14(2)24)10-15-3-8-27-12-15/h3,8,11-12,16H,4-7,9-10H2,1-2H3,(H,20,21,25)/t16-/m1/s1
InChIKeyYUCBZBHGKWOAON-MRXNPFEDSA-N
MW388.49 g/mol
LogP3.48
Rot. Bonds4

About (2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide

(2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide (PubChem CID 129344220) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide.

Molecular Properties

Compound Name(2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide
PubChem CID129344220
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name(2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide
SMILESCC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)Nc1nocc1C)CC2
InChIInChI=1S/C19H24N4O3S/c1-13-11-26-21-17(13)20-18(25)22-6-4-19(5-7-22)9-16(19)23(14(2)24)10-15-3-8-27-12-15/h3,8,11-12,16H,4-7,9-10H2,1-2H3,(H,20,21,25)/t16-/m1/s1
InChIKeyYUCBZBHGKWOAON-MRXNPFEDSA-N
XLogP3.48
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide?
The IUPAC name of (2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide (CID 129344220) is (2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide.
What is the SMILES notation for (2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide?
The canonical SMILES for (2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide is CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)Nc1nocc1C)CC2.
What is the InChIKey of (2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide?
The InChIKey is YUCBZBHGKWOAON-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-11-26-21-17(13)20-18(25)22-6-4-19(5-7-22)9-16(19)23(14(2)24)10-15-3-8-27-12-15/h3,8,11-12,16H,4-7,9-10H2,1-2H3,(H,20,21,25)/t16-/m1/s1.
What are the key properties of (2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide?
(2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide is sourced from PubChem (CID 129344220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).