N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide

C20H20N4O3 — CID 166373600

IUPACN-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide
SMILESO=C(NCCN(CC1CC1)C(=O)c1cnco1)c1ccc2cccnc2c1
InChIInChI=1S/C20H20N4O3/c25-19(16-6-5-15-2-1-7-22-17(15)10-16)23-8-9-24(12-14-3-4-14)20(26)18-11-21-13-27-18/h1-2,5-7,10-11,13-14H,3-4,8-9,12H2,(H,23,25)
InChIKeyGQEQVTMSALFNKX-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.51
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide

N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 166373600) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide
PubChem CID166373600
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC NameN-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide
SMILESO=C(NCCN(CC1CC1)C(=O)c1cnco1)c1ccc2cccnc2c1
InChIInChI=1S/C20H20N4O3/c25-19(16-6-5-15-2-1-7-22-17(15)10-16)23-8-9-24(12-14-3-4-14)20(26)18-11-21-13-27-18/h1-2,5-7,10-11,13-14H,3-4,8-9,12H2,(H,23,25)
InChIKeyGQEQVTMSALFNKX-UHFFFAOYSA-N
XLogP2.51
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide (CID 166373600) is N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide is O=C(NCCN(CC1CC1)C(=O)c1cnco1)c1ccc2cccnc2c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is GQEQVTMSALFNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(16-6-5-15-2-1-7-22-17(15)10-16)23-8-9-24(12-14-3-4-14)20(26)18-11-21-13-27-18/h1-2,5-7,10-11,13-14H,3-4,8-9,12H2,(H,23,25).
What are the key properties of N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide?
N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166373600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).