[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

C13H15N3O3 — CID 139676239

IUPAC[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCn1cccc1-c1cc(C(=O)N2CCOCC2)no1
InChIInChI=1S/C13H15N3O3/c1-15-4-2-3-11(15)12-9-10(14-19-12)13(17)16-5-7-18-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyKQSCCRPCMCDMBK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.15
Rot. Bonds2

About [5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 139676239) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID139676239
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCn1cccc1-c1cc(C(=O)N2CCOCC2)no1
InChIInChI=1S/C13H15N3O3/c1-15-4-2-3-11(15)12-9-10(14-19-12)13(17)16-5-7-18-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyKQSCCRPCMCDMBK-UHFFFAOYSA-N
XLogP1.15
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 1093832
(5-ethyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone
CID 53001425
[1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 42758831
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 56865341
5-(morpholine-4-carbonyl)-1,2-oxazole-3-carboxylic acid
CID 117218072
[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 22427451
N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
CID 139676207
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
(5-methyl-1,2-oxazol-3-yl)-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110645762

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 139676239) is [5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is Cn1cccc1-c1cc(C(=O)N2CCOCC2)no1.
What is the InChIKey of [5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is KQSCCRPCMCDMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-15-4-2-3-11(15)12-9-10(14-19-12)13(17)16-5-7-18-8-6-16/h2-4,9H,5-8H2,1H3.
What are the key properties of [5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 261.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 139676239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).