3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide

C21H26ClN3O4 — CID 78858830

IUPAC3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C21H26ClN3O4/c1-14-19(20(24-29-14)16-4-2-3-5-17(16)22)21(26)23-12-18(15-6-9-28-13-15)25-7-10-27-11-8-25/h2-5,15,18H,6-13H2,1H3,(H,23,26)
InChIKeyHFJOYNRQSGNHBT-UHFFFAOYSA-N
MW419.91 g/mol
LogP2.77
Rot. Bonds6

About 3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 78858830) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID78858830
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C21H26ClN3O4/c1-14-19(20(24-29-14)16-4-2-3-5-17(16)22)21(26)23-12-18(15-6-9-28-13-15)25-7-10-27-11-8-25/h2-5,15,18H,6-13H2,1H3,(H,23,26)
InChIKeyHFJOYNRQSGNHBT-UHFFFAOYSA-N
XLogP2.77
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
5-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 94022952
3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 30575417
3-(2-chlorophenyl)-5-methyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 16889576
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
N-(3-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119998048
3-(2-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 112796045
3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide
CID 99704153
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2-oxazole-4-carboxamide
CID 42940218
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 102554978

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 78858830) is 3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is HFJOYNRQSGNHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4/c1-14-19(20(24-29-14)16-4-2-3-5-17(16)22)21(26)23-12-18(15-6-9-28-13-15)25-7-10-27-11-8-25/h2-5,15,18H,6-13H2,1H3,(H,23,26).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 419.91 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 78858830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).