1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide

C21H23N3O2 — CID 171519749

IUPAC1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESC/C(=C\c1ccc2cc(CNC(=O)C3(C)CC3)[nH]c2c1)c1cc(C)on1
InChIInChI=1S/C21H23N3O2/c1-13(18-9-14(2)26-24-18)8-15-4-5-16-11-17(23-19(16)10-15)12-22-20(25)21(3)6-7-21/h4-5,8-11,23H,6-7,12H2,1-3H3,(H,22,25)/b13-8+
InChIKeyYVCLQZLBWCCTOT-MDWZMJQESA-N
MW349.43 g/mol
LogP4.44
Rot. Bonds5

About 1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide

1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 171519749) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID171519749
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESC/C(=C\c1ccc2cc(CNC(=O)C3(C)CC3)[nH]c2c1)c1cc(C)on1
InChIInChI=1S/C21H23N3O2/c1-13(18-9-14(2)26-24-18)8-15-4-5-16-11-17(23-19(16)10-15)12-22-20(25)21(3)6-7-21/h4-5,8-11,23H,6-7,12H2,1-3H3,(H,22,25)/b13-8+
InChIKeyYVCLQZLBWCCTOT-MDWZMJQESA-N
XLogP4.44
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethenyl]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 174242736
N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171517883
1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517859
N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519355
N-[[6-[(Z)-4-amino-2-oxobut-3-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519150
1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518196
1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171519707
4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 63122936
1-methyl-N-[[5-[(E)-3-(methylamino)prop-2-enoyl]-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517964
N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171518744
1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518968
N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide (CID 171519749) is 1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide is C/C(=C\c1ccc2cc(CNC(=O)C3(C)CC3)[nH]c2c1)c1cc(C)on1.
What is the InChIKey of 1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is YVCLQZLBWCCTOT-MDWZMJQESA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13(18-9-14(2)26-24-18)8-15-4-5-16-11-17(23-19(16)10-15)12-22-20(25)21(3)6-7-21/h4-5,8-11,23H,6-7,12H2,1-3H3,(H,22,25)/b13-8+.
What are the key properties of 1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171519749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).