3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide

C14H16N4O2 — CID 64892323

IUPAC3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)CCOC1
InChIInChI=1S/C14H16N4O2/c15-14(5-6-20-8-14)13(19)18-11-3-1-10(2-4-11)12-7-16-9-17-12/h1-4,7,9H,5-6,8,15H2,(H,16,17)(H,18,19)
InChIKeyNLYZLGRXVNTTFA-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.13
Rot. Bonds3

About 3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide

3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide (PubChem CID 64892323) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide
PubChem CID64892323
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)CCOC1
InChIInChI=1S/C14H16N4O2/c15-14(5-6-20-8-14)13(19)18-11-3-1-10(2-4-11)12-7-16-9-17-12/h1-4,7,9H,5-6,8,15H2,(H,16,17)(H,18,19)
InChIKeyNLYZLGRXVNTTFA-UHFFFAOYSA-N
XLogP1.13
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide (CID 64892323) is 3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide is NC1(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)CCOC1.
What is the InChIKey of 3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide?
The InChIKey is NLYZLGRXVNTTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-14(5-6-20-8-14)13(19)18-11-3-1-10(2-4-11)12-7-16-9-17-12/h1-4,7,9H,5-6,8,15H2,(H,16,17)(H,18,19).
What are the key properties of 3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide?
3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).