N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C18H16Cl2N4O3 — CID 87043821

IUPACN-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NCCNC(=O)c3ccc(Cl)c(Cl)c3)cc12
InChIInChI=1S/C18H16Cl2N4O3/c1-2-15-12-7-11(9-23-18(12)27-24-15)17(26)22-6-5-21-16(25)10-3-4-13(19)14(20)8-10/h3-4,7-9H,2,5-6H2,1H3,(H,21,25)(H,22,26)
InChIKeyLTSBKYWIWJZKNV-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.25
Rot. Bonds6

About N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 87043821) has the molecular formula C18H16Cl2N4O3 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID87043821
Molecular FormulaC18H16Cl2N4O3
Molecular Weight407.26 g/mol
Exact Mass406.06
IUPAC NameN-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NCCNC(=O)c3ccc(Cl)c(Cl)c3)cc12
InChIInChI=1S/C18H16Cl2N4O3/c1-2-15-12-7-11(9-23-18(12)27-24-15)17(26)22-6-5-21-16(25)10-3-4-13(19)14(20)8-10/h3-4,7-9H,2,5-6H2,1H3,(H,21,25)(H,22,26)
InChIKeyLTSBKYWIWJZKNV-UHFFFAOYSA-N
XLogP3.25
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 119350359
N-(2-amino-2-methylpropyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119626084
N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119506007
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 126769214
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 87043857
(2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119364384
3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 136580689
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119438001
3-ethyl-N-(2-methylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 120597922
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671
3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 38426855
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 87043821) is N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCc1noc2ncc(C(=O)NCCNC(=O)c3ccc(Cl)c(Cl)c3)cc12.
What is the InChIKey of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is LTSBKYWIWJZKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3/c1-2-15-12-7-11(9-23-18(12)27-24-15)17(26)22-6-5-21-16(25)10-3-4-13(19)14(20)8-10/h3-4,7-9H,2,5-6H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 407.26 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 87043821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).