N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide

C19H21ClN4O3 — CID 56711559

IUPACN-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cc2cc(Cl)ccc2[nH]1)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C19H21ClN4O3/c20-13-1-2-17-12(7-13)8-14(22-17)10-21-19(26)18-9-16(27-23-18)11-24-5-3-15(25)4-6-24/h1-2,7-9,15,22,25H,3-6,10-11H2,(H,21,26)
InChIKeyVCFZYWKXBRHEGC-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.70
Rot. Bonds5

About N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide

N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 56711559) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID56711559
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cc2cc(Cl)ccc2[nH]1)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C19H21ClN4O3/c20-13-1-2-17-12(7-13)8-14(22-17)10-21-19(26)18-9-16(27-23-18)11-24-5-3-15(25)4-6-24/h1-2,7-9,15,22,25H,3-6,10-11H2,(H,21,26)
InChIKeyVCFZYWKXBRHEGC-UHFFFAOYSA-N
XLogP2.70
TPSA94.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide (CID 56711559) is N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1cc(CN2CCC(O)CC2)on1.
What is the InChIKey of N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VCFZYWKXBRHEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c20-13-1-2-17-12(7-13)8-14(22-17)10-21-19(26)18-9-16(27-23-18)11-24-5-3-15(25)4-6-24/h1-2,7-9,15,22,25H,3-6,10-11H2,(H,21,26).
What are the key properties of N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56711559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).