N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide

C16H18N4O4 — CID 70780601

IUPACN-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
SMILESO=C(CCC1NC(=O)NC1=O)NCCCc1nc2ccccc2o1
InChIInChI=1S/C16H18N4O4/c21-13(8-7-11-15(22)20-16(23)19-11)17-9-3-6-14-18-10-4-1-2-5-12(10)24-14/h1-2,4-5,11H,3,6-9H2,(H,17,21)(H2,19,20,22,23)
InChIKeyKKNGOPBLMMDIRN-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.86
Rot. Bonds7

About N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide

N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide (PubChem CID 70780601) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
PubChem CID70780601
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
SMILESO=C(CCC1NC(=O)NC1=O)NCCCc1nc2ccccc2o1
InChIInChI=1S/C16H18N4O4/c21-13(8-7-11-15(22)20-16(23)19-11)17-9-3-6-14-18-10-4-1-2-5-12(10)24-14/h1-2,4-5,11H,3,6-9H2,(H,17,21)(H2,19,20,22,23)
InChIKeyKKNGOPBLMMDIRN-UHFFFAOYSA-N
XLogP0.86
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(methanesulfonamido)propanamide
CID 91838527
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118761451
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 70720397
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
CID 39969885
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 70723639
N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741831
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide
CID 39278562
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110722163
4-(1,3-benzoxazol-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100511083
4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 100511008

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide (CID 70780601) is N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide is O=C(CCC1NC(=O)NC1=O)NCCCc1nc2ccccc2o1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide?
The InChIKey is KKNGOPBLMMDIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-13(8-7-11-15(22)20-16(23)19-11)17-9-3-6-14-18-10-4-1-2-5-12(10)24-14/h1-2,4-5,11H,3,6-9H2,(H,17,21)(H2,19,20,22,23).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide?
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide has a molecular weight of 330.34 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide is sourced from PubChem (CID 70780601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).