3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H20ClN3O5 — CID 42816994

IUPAC3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(Cl)c(C2=NOC(C(=O)NCCC(=O)NCc3ccco3)C2)c1
InChIInChI=1S/C19H20ClN3O5/c1-26-12-4-5-15(20)14(9-12)16-10-17(28-23-16)19(25)21-7-6-18(24)22-11-13-3-2-8-27-13/h2-5,8-9,17H,6-7,10-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyAWFYQTIVOQLYET-UHFFFAOYSA-N
MW405.84 g/mol
LogP2.26
Rot. Bonds8

About 3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 42816994) has the molecular formula C19H20ClN3O5 and a molecular weight of 405.84 g/mol. Its IUPAC name is 3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID42816994
Molecular FormulaC19H20ClN3O5
Molecular Weight405.84 g/mol
Exact Mass405.11
IUPAC Name3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(Cl)c(C2=NOC(C(=O)NCCC(=O)NCc3ccco3)C2)c1
InChIInChI=1S/C19H20ClN3O5/c1-26-12-4-5-15(20)14(9-12)16-10-17(28-23-16)19(25)21-7-6-18(24)22-11-13-3-2-8-27-13/h2-5,8-9,17H,6-7,10-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyAWFYQTIVOQLYET-UHFFFAOYSA-N
XLogP2.26
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-N-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302290
(5S)-3-(2,5-dimethoxyphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503901
3-(2-chloro-5-methoxyphenyl)-N-methyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42817012
(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40642816
(5S)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503726
3-(2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3236235
1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 124721358
(5S)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503587
4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 2477739
(5R)-3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638550
(5R)-N-tert-butyl-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503918
2-[[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2464167

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 42816994) is 3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(Cl)c(C2=NOC(C(=O)NCCC(=O)NCc3ccco3)C2)c1.
What is the InChIKey of 3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is AWFYQTIVOQLYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5/c1-26-12-4-5-15(20)14(9-12)16-10-17(28-23-16)19(25)21-7-6-18(24)22-11-13-3-2-8-27-13/h2-5,8-9,17H,6-7,10-11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42816994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).