oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone

C14H21N3O2S — CID 23856455

IUPACoxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCCN(Cc2nccs2)CC1
InChIInChI=1S/C14H21N3O2S/c18-14(12-2-8-19-11-12)17-5-1-4-16(6-7-17)10-13-15-3-9-20-13/h3,9,12H,1-2,4-8,10-11H2
InChIKeyFNKAMWLVHSHUCH-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.21
Rot. Bonds3

About oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone

oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 23856455) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone
PubChem CID23856455
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Nameoxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCCN(Cc2nccs2)CC1
InChIInChI=1S/C14H21N3O2S/c18-14(12-2-8-19-11-12)17-5-1-4-16(6-7-17)10-13-15-3-9-20-13/h3,9,12H,1-2,4-8,10-11H2
InChIKeyFNKAMWLVHSHUCH-UHFFFAOYSA-N
XLogP1.21
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 118741023
Oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 118741025
[(3aS,6aR)-2-(1,3-thiazol-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(oxolan-3-yl)methanone
CID 118741190
2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide
CID 166430592
8-(1,3-Thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.6]undecan-9-one
CID 56886691
1-[(5aS,8aS)-7-(1,3-thiazol-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]ethanone
CID 125233695
2-Methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone
CID 131648509
(3R)-N-(1,3-dioxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 8043758
(3S)-N-(1,3-dioxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 8043759
4-(Hydroxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-one
CID 64208170
3-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 64893614
4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 66236068

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone (CID 23856455) is oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone is O=C(C1CCOC1)N1CCCN(Cc2nccs2)CC1.
What is the InChIKey of oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is FNKAMWLVHSHUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-14(12-2-8-19-11-12)17-5-1-4-16(6-7-17)10-13-15-3-9-20-13/h3,9,12H,1-2,4-8,10-11H2.
What are the key properties of oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 295.41 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 23856455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).