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

C15H25N3O2 — CID 56823018

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
SMILESCCCN1CCCN(C(=O)c2c(CC)noc2C)CC1
InChIInChI=1S/C15H25N3O2/c1-4-7-17-8-6-9-18(11-10-17)15(19)14-12(3)20-16-13(14)5-2/h4-11H2,1-3H3
InChIKeyDGXJEMJEODBZAC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.10
Rot. Bonds4

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

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone (PubChem CID 56823018) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
PubChem CID56823018
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
SMILESCCCN1CCCN(C(=O)c2c(CC)noc2C)CC1
InChIInChI=1S/C15H25N3O2/c1-4-7-17-8-6-9-18(11-10-17)15(19)14-12(3)20-16-13(14)5-2/h4-11H2,1-3H3
InChIKeyDGXJEMJEODBZAC-UHFFFAOYSA-N
XLogP2.10
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62824282
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416021
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758964
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633386
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 43522115
4-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-1,4-diazepane-1-carbonyl]-1-prop-2-enylpyrrolidin-2-one
CID 137340669
N-(2-chlorophenyl)-2-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]acetamide
CID 9372195
[4-(3-chlorophenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 17191313
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17409724
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124978958

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone (CID 56823018) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone is CCCN1CCCN(C(=O)c2c(CC)noc2C)CC1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone?
The InChIKey is DGXJEMJEODBZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-7-17-8-6-9-18(11-10-17)15(19)14-12(3)20-16-13(14)5-2/h4-11H2,1-3H3.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone has a molecular weight of 279.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 56823018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).