[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

C14H23N3O2 — CID 70774249

IUPAC[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC[C@H](N(C)C)C2)o1
InChIInChI=1S/C14H23N3O2/c1-10-13(19-11(2)15-10)14(18)17-8-6-5-7-12(9-17)16(3)4/h12H,5-9H2,1-4H3/t12-/m0/s1
InChIKeyQEXSLHNFLZWWTP-LBPRGKRZSA-N
MW265.36 g/mol
LogP1.85
Rot. Bonds2

About [(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (PubChem CID 70774249) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
PubChem CID70774249
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC[C@H](N(C)C)C2)o1
InChIInChI=1S/C14H23N3O2/c1-10-13(19-11(2)15-10)14(18)17-8-6-5-7-12(9-17)16(3)4/h12H,5-9H2,1-4H3/t12-/m0/s1
InChIKeyQEXSLHNFLZWWTP-LBPRGKRZSA-N
XLogP1.85
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574481
2-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 81450618
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 81478360
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 81476373
N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119481606
1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 110684804
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone
CID 124888877
[3-(2-bromoethyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 114801438
(2S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 81454302
1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81367808
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 97268972
[(3S)-3-(dimethylamino)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95143975

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (CID 70774249) is [(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CCCC[C@H](N(C)C)C2)o1.
What is the InChIKey of [(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The InChIKey is QEXSLHNFLZWWTP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-13(19-11(2)15-10)14(18)17-8-6-5-7-12(9-17)16(3)4/h12H,5-9H2,1-4H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 70774249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).