1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one

About 1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one

1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one (PubChem CID 38030464) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name	1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one
PubChem CID	38030464
Molecular Formula	C24H34N6O2
Molecular Weight	438.58 g/mol
Exact Mass	438.27
IUPAC Name	1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one
SMILES	CC1=C[C@@H](CNCCN2CCNC2=O)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1
InChI	InChI=1S/C24H34N6O2/c1-16(2)21-12-19(13-22-28-29-23(32-22)18-5-4-6-25-14-18)17(3)11-20(21)15-26-7-9-30-10-8-27-24(30)31/h4-6,11,14,16,19-21,26H,7-10,12-13,15H2,1-3H3,(H,27,31)/t19-,20-,21-/m0/s1
InChIKey	UFHFWGAUUJLIDP-ACRUOGEOSA-N
XLogP	3.14
TPSA	96.18 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one?

The IUPAC name of 1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one (CID 38030464) is 1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one.

What is the SMILES notation for 1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one?

The canonical SMILES for 1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one is CC1=C[C@@H](CNCCN2CCNC2=O)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1.

What is the InChIKey of 1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one?

The InChIKey is UFHFWGAUUJLIDP-ACRUOGEOSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-16(2)21-12-19(13-22-28-29-23(32-22)18-5-4-6-25-14-18)17(3)11-20(21)15-26-7-9-30-10-8-27-24(30)31/h4-6,11,14,16,19-21,26H,7-10,12-13,15H2,1-3H3,(H,27,31)/t19-,20-,21-/m0/s1.

What are the key properties of 1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one?

1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one has a molecular weight of 438.58 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 38030464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).