N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide

C18H21N5O3 — CID 53195608

IUPACN,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNC(=O)c2n[nH]c3ccccc23)oc1C
InChIInChI=1S/C18H21N5O3/c1-4-23(5-2)18(25)15-11(3)26-14(20-15)10-19-17(24)16-12-8-6-7-9-13(12)21-22-16/h6-9H,4-5,10H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyGQWPUGMMSQCKKM-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.27
Rot. Bonds6

About N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide

N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 53195608) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID53195608
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNC(=O)c2n[nH]c3ccccc23)oc1C
InChIInChI=1S/C18H21N5O3/c1-4-23(5-2)18(25)15-11(3)26-14(20-15)10-19-17(24)16-12-8-6-7-9-13(12)21-22-16/h6-9H,4-5,10H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyGQWPUGMMSQCKKM-UHFFFAOYSA-N
XLogP2.27
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 53195608) is N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide is CCN(CC)C(=O)c1nc(CNC(=O)c2n[nH]c3ccccc23)oc1C.
What is the InChIKey of N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is GQWPUGMMSQCKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-4-23(5-2)18(25)15-11(3)26-14(20-15)10-19-17(24)16-12-8-6-7-9-13(12)21-22-16/h6-9H,4-5,10H2,1-3H3,(H,19,24)(H,21,22).
What are the key properties of N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).