2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide

C18H33N5O2 — CID 153195075

IUPAC2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide
SMILESCC1NOC(C2CCC3C(CC[C@H]3NC(=O)C3CNC(C)N3C)C2)N1
InChIInChI=1S/C18H33N5O2/c1-10-20-18(25-22-10)13-4-6-14-12(8-13)5-7-15(14)21-17(24)16-9-19-11(2)23(16)3/h10-16,18-20,22H,4-9H2,1-3H3,(H,21,24)/t10?,11?,12?,13?,14?,15-,16?,18?/m1/s1
InChIKeyBHGMNFAPIQLBQY-VIJGUNQNSA-N
MW351.50 g/mol
LogP0.34
Rot. Bonds3

About 2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide

2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide (PubChem CID 153195075) has the molecular formula C18H33N5O2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide
PubChem CID153195075
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC Name2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide
SMILESCC1NOC(C2CCC3C(CC[C@H]3NC(=O)C3CNC(C)N3C)C2)N1
InChIInChI=1S/C18H33N5O2/c1-10-20-18(25-22-10)13-4-6-14-12(8-13)5-7-15(14)21-17(24)16-9-19-11(2)23(16)3/h10-16,18-20,22H,4-9H2,1-3H3,(H,21,24)/t10?,11?,12?,13?,14?,15-,16?,18?/m1/s1
InChIKeyBHGMNFAPIQLBQY-VIJGUNQNSA-N
XLogP0.34
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide (CID 153195075) is 2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide is CC1NOC(C2CCC3C(CC[C@H]3NC(=O)C3CNC(C)N3C)C2)N1.
What is the InChIKey of 2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide?
The InChIKey is BHGMNFAPIQLBQY-VIJGUNQNSA-N. The full InChI is InChI=1S/C18H33N5O2/c1-10-20-18(25-22-10)13-4-6-14-12(8-13)5-7-15(14)21-17(24)16-9-19-11(2)23(16)3/h10-16,18-20,22H,4-9H2,1-3H3,(H,21,24)/t10?,11?,12?,13?,14?,15-,16?,18?/m1/s1.
What are the key properties of 2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide?
2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide has a molecular weight of 351.50 g/mol, XLogP of 0.34, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 153195075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).