(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone

C20H25N3O3 — CID 110634556

IUPAC(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C20H25N3O3/c1-13(2)19-18(14(3)21-26-19)20(24)23-7-6-15-12-16(4-5-17(15)23)22-8-10-25-11-9-22/h4-5,12-13H,6-11H2,1-3H3
InChIKeyLPYWZRIEWIBTDN-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.15
Rot. Bonds3

About (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone

(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110634556) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID110634556
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C20H25N3O3/c1-13(2)19-18(14(3)21-26-19)20(24)23-7-6-15-12-16(4-5-17(15)23)22-8-10-25-11-9-22/h4-5,12-13H,6-11H2,1-3H3
InChIKeyLPYWZRIEWIBTDN-UHFFFAOYSA-N
XLogP3.15
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7531004
2,3-Dihydroindol-1-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 1246695
5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
CID 2559070
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233338
3-{1-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-4-piperidinyl}-N-(3-methylphenyl)propanamide
CID 24790057
3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
CID 17452729
2,3-Dihydroindol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 539739
5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1241125
3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 2448120
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234726
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
CID 4798996
Methanone, [4-(2,3-dimethylphenyl)-1-piperazinyl](3-ethyl-5-methyl-4-isoxazolyl)-
CID 9271165

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone (CID 110634556) is (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone is Cc1noc(C(C)C)c1C(=O)N1CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is LPYWZRIEWIBTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(2)19-18(14(3)21-26-19)20(24)23-7-6-15-12-16(4-5-17(15)23)22-8-10-25-11-9-22/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110634556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).