N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C18H28N4O4 — CID 74230533

IUPACN-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2oc(C)nc2C)CN1C1CCOCC1
InChIInChI=1S/C18H28N4O4/c1-4-19-17(23)15-9-13(10-22(15)14-5-7-25-8-6-14)21-18(24)16-11(2)20-12(3)26-16/h13-15H,4-10H2,1-3H3,(H,19,23)(H,21,24)/t13-,15-/m0/s1
InChIKeyNPJPLKJPOWDUSU-ZFWWWQNUSA-N
MW364.45 g/mol
LogP0.78
Rot. Bonds5

About N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 74230533) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID74230533
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2oc(C)nc2C)CN1C1CCOCC1
InChIInChI=1S/C18H28N4O4/c1-4-19-17(23)15-9-13(10-22(15)14-5-7-25-8-6-14)21-18(24)16-11(2)20-12(3)26-16/h13-15H,4-10H2,1-3H3,(H,19,23)(H,21,24)/t13-,15-/m0/s1
InChIKeyNPJPLKJPOWDUSU-ZFWWWQNUSA-N
XLogP0.78
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 74230533) is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2oc(C)nc2C)CN1C1CCOCC1.
What is the InChIKey of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is NPJPLKJPOWDUSU-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-4-19-17(23)15-9-13(10-22(15)14-5-7-25-8-6-14)21-18(24)16-11(2)20-12(3)26-16/h13-15H,4-10H2,1-3H3,(H,19,23)(H,21,24)/t13-,15-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 74230533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).