N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole

C15H19N5O2 — CID 143500885

IUPACN-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole
SMILESCc1cc(-c2ccc[nH]2)on1.O=CNCCCn1ccnc1
InChIInChI=1S/C8H8N2O.C7H11N3O/c1-6-5-8(11-10-6)7-3-2-4-9-7;11-7-9-2-1-4-10-5-3-8-6-10/h2-5,9H,1H3;3,5-7H,1-2,4H2,(H,9,11)
InChIKeyWSSFUWUKBPNMCW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.00
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole

N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole (PubChem CID 143500885) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole
PubChem CID143500885
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole
SMILESCc1cc(-c2ccc[nH]2)on1.O=CNCCCn1ccnc1
InChIInChI=1S/C8H8N2O.C7H11N3O/c1-6-5-8(11-10-6)7-3-2-4-9-7;11-7-9-2-1-4-10-5-3-8-6-10/h2-5,9H,1H3;3,5-7H,1-2,4H2,(H,9,11)
InChIKeyWSSFUWUKBPNMCW-UHFFFAOYSA-N
XLogP2.00
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-((3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl)methyl)isoxazole-3-carboxamide
CID 91632238
3'-[(3-isobutylisoxazol-5-yl)methyl]-5'-phenyl-1H,3'H-2,4'-biimidazole
CID 50973496
4-[5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 11646939
N-methyl-1-(4-methyl-1H-imidazol-5-yl)-N-[(3-pyridin-3-ylisoxazol-5-yl)methyl]methanamine
CID 50977825
5'-methyl-1-[(3-pyridin-3-ylisoxazol-5-yl)methyl]-1H,3'H-2,4'-biimidazole
CID 56913605
N-(3-imidazol-1-ylpropyl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 24738152
N-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 24738153
N-(3-imidazol-1-ylpropyl)-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
CID 57696245
5-(1-methylpyrrol-2-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 57696251
5-(1-methylpyrrol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 57696278
[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl] N-(3-imidazol-1-ylpropyl)carbamate
CID 89753449
3-[(2-Ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole
CID 135386458

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole?
The IUPAC name of N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole (CID 143500885) is N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole is Cc1cc(-c2ccc[nH]2)on1.O=CNCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole?
The InChIKey is WSSFUWUKBPNMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C7H11N3O/c1-6-5-8(11-10-6)7-3-2-4-9-7;11-7-9-2-1-4-10-5-3-8-6-10/h2-5,9H,1H3;3,5-7H,1-2,4H2,(H,9,11).
What are the key properties of N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole?
N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole has a molecular weight of 301.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole is sourced from PubChem (CID 143500885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).