N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide

C16H24N8O3 — CID 72925487

IUPACN-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncoc2C)CN1CCCn1cnnn1
InChIInChI=1S/C16H24N8O3/c1-3-17-15(25)13-7-12(20-16(26)14-11(2)27-10-18-14)8-23(13)5-4-6-24-9-19-21-22-24/h9-10,12-13H,3-8H2,1-2H3,(H,17,25)(H,20,26)/t12-,13-/m0/s1
InChIKeyNMGZOFIKIVHXOC-STQMWFEESA-N
MW376.42 g/mol
LogP-0.63
Rot. Bonds8

About N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide

N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 72925487) has the molecular formula C16H24N8O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID72925487
Molecular FormulaC16H24N8O3
Molecular Weight376.42 g/mol
Exact Mass376.20
IUPAC NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncoc2C)CN1CCCn1cnnn1
InChIInChI=1S/C16H24N8O3/c1-3-17-15(25)13-7-12(20-16(26)14-11(2)27-10-18-14)8-23(13)5-4-6-24-9-19-21-22-24/h9-10,12-13H,3-8H2,1-2H3,(H,17,25)(H,20,26)/t12-,13-/m0/s1
InChIKeyNMGZOFIKIVHXOC-STQMWFEESA-N
XLogP-0.63
TPSA131.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (CID 72925487) is N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncoc2C)CN1CCCn1cnnn1.
What is the InChIKey of N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is NMGZOFIKIVHXOC-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N8O3/c1-3-17-15(25)13-7-12(20-16(26)14-11(2)27-10-18-14)8-23(13)5-4-6-24-9-19-21-22-24/h9-10,12-13H,3-8H2,1-2H3,(H,17,25)(H,20,26)/t12-,13-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of -0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(ethylcarbamoyl)-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72925487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).