(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone

C14H23N3O2 — CID 71926645

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
SMILESCCCN1CCCN(C(=O)c2oc(C)nc2C)CC1
InChIInChI=1S/C14H23N3O2/c1-4-6-16-7-5-8-17(10-9-16)14(18)13-11(2)15-12(3)19-13/h4-10H2,1-3H3
InChIKeyWCDJRJJBFWLFJX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.85
Rot. Bonds3

About (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone (PubChem CID 71926645) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
PubChem CID71926645
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
SMILESCCCN1CCCN(C(=O)c2oc(C)nc2C)CC1
InChIInChI=1S/C14H23N3O2/c1-4-6-16-7-5-8-17(10-9-16)14(18)13-11(2)15-12(3)19-13/h4-10H2,1-3H3
InChIKeyWCDJRJJBFWLFJX-UHFFFAOYSA-N
XLogP1.85
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-Dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 75423546
1-[4-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 75423554
2-(Dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone
CID 97442826
N-ethyl-2,5-dimethyl-N-(2-methylallyl)-1,3-oxazole-4-carboxamide
CID 53195125
N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53195169
1-(2,5-Dimethyl-1,3-oxazole-4-carbonyl)azepane
CID 53195173
N,2,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 53195179
4-[(2-Ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-1,4-oxazepan-6-ol
CID 70761935
(3S)-1-[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]-N,N-dimethylazepan-3-amine
CID 70774249
tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate
CID 75438797
2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 77084474
2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide
CID 77092028

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone (CID 71926645) is (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone is CCCN1CCCN(C(=O)c2oc(C)nc2C)CC1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone?
The InChIKey is WCDJRJJBFWLFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-6-16-7-5-8-17(10-9-16)14(18)13-11(2)15-12(3)19-13/h4-10H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 71926645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).