(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone

C16H18N2O3 — CID 138009834

IUPAC(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone
SMILESCc1cc(C(=O)N2CCOC(c3ccccc3)CC2)on1
InChIInChI=1S/C16H18N2O3/c1-12-11-15(21-17-12)16(19)18-8-7-14(20-10-9-18)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3
InChIKeyFHMRSTICSNFJHT-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.59
Rot. Bonds2

About (3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone

(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone (PubChem CID 138009834) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone
PubChem CID138009834
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone
SMILESCc1cc(C(=O)N2CCOC(c3ccccc3)CC2)on1
InChIInChI=1S/C16H18N2O3/c1-12-11-15(21-17-12)16(19)18-8-7-14(20-10-9-18)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3
InChIKeyFHMRSTICSNFJHT-UHFFFAOYSA-N
XLogP2.59
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946331
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide
CID 86869244
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63596014
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064
(4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 7452862
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863746
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 120743708
(3-methyl-1,2-oxazol-5-yl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91946404
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124981281

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone (CID 138009834) is (3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone is Cc1cc(C(=O)N2CCOC(c3ccccc3)CC2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is FHMRSTICSNFJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-11-15(21-17-12)16(19)18-8-7-14(20-10-9-18)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone?
(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 138009834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).